gebhart/patrepeval huggingface dataset:
Piezomagnetic effect as a counterpart of negative thermal expansion in magnetically frustrated Mn-based antiperovskite nitrides (2016)

The interplay of magnetic and elastic properties due to geometrical frustration in antiferromagnetic Mn-aniperovskite nitrides manifests itself in a range of phenomena such as the barocaloric (BCE), piezomagnetic (PME), magnetovolume effect (MVE), and the related negative thermal expansion (NTE). This systematic computational study uses density functional theory across a wide range of cubic antiperovskites Mn$_3$AN (A = Rh, Pd, Ag, Co, Ni, Zn, Ga, In, Sn) in order to account for variations in the magnetic frustration based on features of the electronic structure. It focuses on PME - the linear dependence of magnetisation on applied biaxial strain. The PME in Mn$_3$SnN predicted here is an order of magnitude larger than PME modelled so far in Mn$_3$GaN,cite{lukashev2008theory} which opens the way to composite magnetoelectric effect in piezomagnetic/piezoelectric heterostructures. Moreover, the simulated PME as a zero temperature property is shown to be inversely proportional to the measured spontaneous volume expansion at a phase transition from paramagnetic (PM) to antiferromagnetic (AFM) state.cite{takenaka2014magnetovolume} On the fundamental level, such relation implies a significant suppression of spin fluctuations by the strong frustration in these systems. At the same time it can be used as a tool in search for materials with large negative thermal expansion and barocaloric effect.
Silsesquioxane Models for Silica Surface Silanol Sites with Adjacent Siloxide Functionalites and Olefin Polymerization Catalysts Thereof (2004)

Incompletely condensed silsesquioxanes of the type R7Si7O9(O[SiR'2O]n)OH (R = c-C5H9, c-C6H11; R' = Me, Ph; n = 1-4), containing a siloxane ring of variable size and rigidity and a remaining silanol, are described. Compared with a truly isolated silanol [R7Si8O12(OH)], solution and solid state FT-IR spectra of these compounds show a nu(OH) shift of approximately 150 cm(-1) to lower frequency, which suggests hydrogen bonding of the silanol with the internal siloxane ring. In agreement with this, the relative ion pair acidities of the silanols in THF, determined by UV/Vis, were lowered by 0.8-1.2 compared with a truly isolated silanol. Density functional theory (DFT) calculations on these systems confirm the presence of intramolecular hydrogen bonding. Possible interaction of the silyl ether functionalities with Lewis acidic metal sites was studied for the neutral gallium-substituted systems and cationic titanium silsesquioxane complexes, models for an immobilized titanium olefin polymerization catalyst. The electron donating capability of the siloxide functionalities in 1, 6, and 7 is not sufficient to satisfy the electron deficiency of the corresponding gallium silsesquioxane species, which form dimeric structures with a bridging siloxide unit rather than Lewis base adducts with coordinated siloxide functionalities. Metallation of 1 and 4 with [Cp"Ti(CH2Ph)3] (Cp" = eta5-1,3-C5H3(SiMe3)2) in a 1:1 ratio afforded monomeric titanasilsesquioxanes. To probe the effect of the neighboring siloxane ring on the highly Lewis acidic titanium center, the catalytic activities of the corresponding cationic half-sandwich complexes were tested in 1-hexene polymerization. Compared with the catalyst system based on the isolated silanol [(c-C5H9)7Si8O12OH], the presence of a neighboring siloxane ring causes considerable retardation of the polymerization process but also improves the stability of the catalyst.
Go, server, go! (2013)

In data centers today, servers are stationary and data flows on a hierarchical network of switches and routers. But such static server arrangements require very scalable networks, and many applications are bottlenecked by network bandwidth. In addition, server density is kept low to enable maintenance and upgrades, as well as to increase air flow. In this paper, we propose a design in which servers move physically, and communicate via point-to-point connections (instead of switches). We argue that this allows data transfer bandwidth to scale linearly with the number of servers, and that moving servers is not as expensive as it sounds, at least in terms of power consumption. Moreover, while servers move around, they regularly reach the perimeters of the system, which helps with heat dissipation and with servicing of failed nodes. This design also helps in traditional switch-based networks, to improve density and maintainability.
Mechanical strengthening, stiffening, and oxidation behavior of pentatwinned Cu nanowires at near ambient temperatures (2014)

The complex effects of near ambient temperature exposure, i.e. 20–150 °C, on the oxidation and the mechanical properties of thermal solution grown faceted Cu nanowires were investigated. The mechanical behavior was quantified with experiments on individual Cu nanowires using a MEMS-based method for nanoscale mechanical property studies. The elastic modulus of pristine Cu nanowires with diameters 300–550 nm was 117 ± 1.2 GPa which agreed very well with polycrystalline bulk Cu, while the ultimate tensile strength was more than three times higher than bulk Cu, averaging 683 ± 55 MPa. Annealing at just 50 °C resulted in marked strengthening by almost 100% while the elastic modulus remained unchanged. Heat treatment in ambient air distinguished three different regimes of oxidation, namely the (a) formation of a thin passivation oxide at temperatures up to 50 °C, (b) formation of thermal oxide obeying an Arrhenius type process for Cu+ migration at temperatures higher than 70 °C, which was accelerated by grain boundary diffusion resulting in activation energies of 0.17–0.23 eV, and (c) complete oxidation following the Kirkendall effect at temperatures higher than 150 °C and for prolonged exposure times, which did not obey an Arrhenius law. Notably, the formation of a weaker and more compliant thermal Cu2O did not compromise the effective strength and elastic modulus of oxidized Cu nanowires: experiments in Ar at temperatures higher than 70 °C showed mechanical strengthening by ∼50% and ultimate stiffening to ∼190 GPa, which is near the upper limit for the elastic modulus of single crystal Cu in the <111> direction.
RNA therapeutics – The potential treatment for myocardial infarction (2016)

RNA therapeutics mainly control gene expression at the transcript level. In contrast to conventional gene therapy which solely increases production of a protein, delivered RNAs can enhance, reduce or abolish synthesis of a particular protein, which control its relevant activities in a more diverse fashion. Thus, they hold promise to treat many human diseases including myocardial infarction (MI). MI is a serious health burden that causes substantial morbidity and mortality. An unmet clinical need for treating MI is the recovery of cardiac function, which requires regeneration of the functional tissues including the vasculature, nerves, and myocardium. Several classes of RNA therapeutics have been investigated in preclinical MI models, and the results have demonstrated their benefits and encourage their future development. In this review, we summarize the common RNA therapeutic approaches and highlight their application in MI therapy.
New Reconstructions on Silicon (111) Surfaces (1986)

We report the first observation of a class of new reconstructions on clean silicon (111) surfaces. The surfaces are prepared by a combination of laser and thermal annealing and the new structures are studied with a tunneling microscope. $c\ensuremath{-}(4\ifmmode\times\else\texttimes\fi{}2)\mathrm{and}(2\ifmmode\times\else\texttimes\fi{}2)$ regions populate the ordered parts of the surface directly after laser annealing. Subsequent partial thermal anneals result in a surface containing (5\ifmmode\times\else\texttimes\fi{}5), (7\ifmmode\times\else\texttimes\fi{}7), (9\ifmmode\times\else\texttimes\fi{}9), and other intermediate structures. These observations' bearing on the connection between germanium and silicon reconstructions is discussed.
Wavelength-independent packet header replacement using a long cw region generated directly from the packet flag (2002)

Summary form only given. We demonstrate the same-wavelength header replacement at 1 Gbit/s using a cw region generated from the packet's own flag. This technique is wavelength independent. The packet flag, a series of 1s, is placed in a short fiber loop and replicated several times, providing a cw signal for subsequent generation of a new header at the same wavelength as the payload. We obtain bit error rate (BER=10/sup -9/) with a 1.5-dB penalty. Our method is advantageous to the previous work in which: (i) no extraneous throughput-lowering cw tag is necessary because we use the packet flag itself to generate the cw region, (ii) the SONET packet structure is maintained by reusing the packet flag, (iii) the new header data is imprinted at the 1 Gbit/s payload rate.
Conversational UX Design (2017)

From Siri to Alexa to Cortana, conversational interfaces are hitting the mainstream and becoming ubiquitous in our daily lives. However, user experiences with such applications remain disappointing. Although it is easy to get a system to produce words, none of the current agents or bots display general conversational competence. Modeling natural conversation is still a hard problem. But in order to tackle it, conversational UX designers must possess a technical understanding of the structures of natural conversation. This workshop explores the intersection of user interface design and the design of natural conversation. It seeks to outline principles and guidelines for Conversational UX Design as a distinct discipline. Workshop participants will get their hands dirty building conversation flows.
Application of cardiac electrophysiology simulations to pro‐arrhythmic safety testing (2012)

Concerns over cardiac side effects are the largest single cause of compound attrition during pharmaceutical drug development. For a number of years, biophysically detailed mathematical models of cardiac electrical activity have been used to explore how a compound, interfering with specific ion-channel function, may explain effects at the cell-, tissue- and organ-scales. With the advent of high-throughput screening of multiple ion channels in the wet-lab, and improvements in computational modelling of their effects on cardiac cell activity, more reliable prediction of pro-arrhythmic risk is becoming possible at the earliest stages of drug development. In this paper, we review the current use of biophysically detailed mathematical models of cardiac myocyte electrical activity in drug safety testing, and suggest future directions to employ the full potential of this approach.
A lO-Gb/s CMOS Clock and Data Recovery Circuit (2000)

A lO-Gb/s phase-locked clock and data recovery circuit Data (10 Gbls) incorporates a 5-GHz interpolating voltage-controlled oscillator and a half-rate phase detector. The phase detector provides a linear characteristic while retiming and Charge Demultiplexed demultiplexing the data with no systematic phase offset. Retimed Data Fabricated in a 0.18-pm CMOS technology, the circuit Half-Rate Phase Detector
Combining DNP NMR with segmental and specific labeling to study a yeast prion protein strain that is not parallel in-register (2017)

The yeast prion protein Sup35NM is a self-propagating amyloid. Despite intense study, there is no consensus on the organization of monomers within Sup35NM fibrils. Some studies point to a β-helical arrangement, whereas others suggest a parallel in-register organization. Intermolecular contacts are often determined by experiments that probe long-range heteronuclear contacts for fibrils templated from a 1:1 mixture of <sup>13</sup>C- and <sup>15</sup>N-labeled monomers. However, for Sup35NM, like many large proteins, chemical shift degeneracy limits the usefulness of this approach. Segmental and specific isotopic labeling reduce degeneracy, but experiments to measure long-range interactions are often too insensitive. To limit degeneracy and increase experimental sensitivity, we combined specific and segmental isotopic labeling schemes with dynamic nuclear polarization (DNP) NMR. Using this combination, we examined an amyloid form of Sup35NM that does not have a parallel in-register structure. The combination of a small number of specific labels with DNP NMR enables determination of architectural information about polymeric protein systems.
Structure/Interface Coupling Effect for High‐Voltage LiCoO2 Cathodes (2022)

LiCoO<sub>2</sub> (LCO) is widely applied in today's rechargeable battery markets for consumer electronic devices. However, LCO operations at high voltage are hindered by accelerated structure degradation and electrode/electrolyte interface decomposition. To overcome these challenges, co-modified LCO (defined as CB-Mg-LCO) that couples pillar structures with interface shielding are successfully synthesized for achieving high-energy-density and structurally stable cathode material. Benefitting from the "Mg-pillar" effect, irreversible phase transitions are significantly suppressed and highly reversible Li<sup>+</sup> shuttling is enabled. Interestingly, bonding effects between the interfacial lattice oxygen of CB-Mg-LCO and amorphous Co<sub>x</sub> B<sub>y</sub> coating layer are found to elevate the formation energy of oxygen vacancies, thereby considerably mitigating lattice oxygen loss and inhibiting irreversible phase transformation. Meanwhile, interface shielding effects are also beneficial for mitigating parasitic electrode/electrolyte reactions, subsequent Co dissolution, and ultimately enable a robust electrode/electrolyte interface. As a result, the as-designed CB-Mg-LCO cathode achieves a high capacity and excellent cycle stability with 94.6% capacity retention at an extremely high cut-off voltage of 4.6 V. These findings provide new insights for cathode material modification methods, which serves to guide future cathode material design.
Genetics of Cushing’s Syndrome (2010)

Cushing's syndrome (CS) is characterized by pathologically elevated free glucocorticoid levels. Endogenous hypercortisolism is usually due to ACTH-secreting pituitary corticotropic adenomas and less often due to ectopic ACTH-secreting neuroendocrine neoplasms or ACTH-independent adrenal cortisol hypersecretion. CS is a serious chronic disease leading to a several-fold increase in cardiovascular morbidity and mortality. Multiple genetic alterations have been described in the setting of sporadic corticotropinoma formation. Changes in the expression profiles have been demonstrated in growth factors and their receptors, cell-cycle regulators and in various genes related to hormonal gene transcription, synthesis and secretion. Sporadic adrenal adenomas and carcinomas may demonstrate dysfunction in genes such as TP53 among others. Cushing's disease can be an inherited condition also. Multiple endocrine neoplasia type 1 (MEN1) and familial isolated pituitary adenomas (FIPA) together account for 5% of pituitary adenomas. Cushing's disease occurs infrequently in an inherited setting in both of these conditions. To date only 2 cases of Cushing's disease have been described in association with mutations in AIP. One case of Cushing's disease has been reported as part of MEN4, a rare MEN1-like syndrome due to mutation in the CDKN1B gene. Carney complex (CNC) due to PRKAR1A mutations in most cases is associated with CS, mainly as a cause of bilateral adrenal hyperplasia. The cAMP signaling pathway is affected in this setting. In recent times the involvement of genes such as PDE11A, PDE8B and others have expanded the spectrum of the genetic pathophysiology of CS.
Tracking the cell cycle origins for escape from topotecan action by breast cancer cells (2003)

The anticancer agent topotecan is considered to be S-phase specific. This implies that cancer cells that are not actively replicating DNA could resist the effects of the drug. The cycle specificity of topotecan action was investigated in MCF-7 cells, using time-lapse microscopy to link the initial cell cycle position during acute exposures to topotecan with the antiproliferative consequences for individual cells. The bioactive dose range (0.5-10 microM) for 1-h topotecan exposures was defined by rapid drug delivery and topoisomerase I trapping. Topotecan caused pan-cycle induction and activation of p53. Lineage analysis of the time-lapse sequences identified cells initially in S-phase and G2, and defined the time to mitosis for cells originating from G2, S-phase and G1. Topotecan prevented all mitoses from S-phase cells and G1 cells (half-maximal effects at 0.14 microM and 0.96 microM, respectively). No dose of topotecan completely prevented mitosis among G2 cells, and at saturating doses of topotecan about half the cells of G2 origin continued dividing (the half-maximal effects was at 0.31 microM). Overall, topotecan differentially targeted G1-, S- and G2-phase cells, but many G2 cells were resistant to topotecan, presenting a clear route for cell cycle-mediated drug resistance.
Impedance Spectroscopy Characterization of PEM Fuel Cells with Fe-N-C-Based Cathodes (2019)

We report impedance spectroscopy analysis of PEM fuel cells built with platinum group metal-free (PGM-free) Fe-N-C cathodes with the catalyst loading and ionomer to catalyst ratio being variable parameters. The dependence of key cathode transport and kinetic parameters on the cell current density <I>J</I> are obtained in the range from 0.025 to 0.4 A cm<SUP>-2</SUP>. The electrode performance is evaluated using the characteristic current densities for proton and oxygen transport in the cathode catalyst layer. Overall, certain electrode configurations demonstrate proton and oxygen transport properties comparable to those of Pt/C systems, making them promising substitutes for platinum at cathodic side of PEM fuel cells.
Neue Antimalaria‐Wirkstoffe (2003)

Abstract Etwa 40 % der Weltbevölkerung leben in Malariagebieten. Jährlich erkranken 300 bis 500 Millionen Menschen an Malaria, bis zu 2.5 Millionen sterben an den Krankheitsfolgen. Obwohl Malaria in vielen Teilen der Welt bereits als ausgerottet galt, nimmt die Zahl der Fälle auch in diesen Gebieten wieder zu. Der wichtigste Grund für diese bedrohliche Entwicklung ist die zunehmende Verbreitung von Resistenzen gegen Antimalaria‐Wirkstoffe, insbesondere gegen das am häufigsten verwendete Chloroquin. Seit Mitte der siebziger Jahre wurde die Entwicklung neuer Wirkstoffe vernachlässigt. Dafür ist neben dem Wegfall kolonialer und militärischer Interessen auch das beschränkte Marktpotenzial verantwortlich. Unterstützt durch öffentliche Förderprogramme werden erst seit kurzem wieder intensivere Forschungsaktivitäten unternommen. Fortschritte verspricht man sich vor allem von der Sequenzierung des Genoms von Plasmodium falciparum, dem Malaria‐Erreger, sowie von modernem Wirkstoff‐Design.
Effect of nanoparticle scattering on thermoelectric power factor (2009)

The effect of nanoparticles on the thermoelectric power factor is investigated using the relaxation time approximation. The partial-wave technique is used for calculating the nanoparticle scattering cross section exactly. We validate our model by comparing its results to the experimental data obtained for ErAs:InGaAlAs samples. We use the theory to maximize the power factor with respect to nanoparticle and electron concentrations as well as the barrier height. We found that at the optimum of the power factor, the electron concentration is usually higher in the sample with nanoparticles, implying that Seebeck is usually unchanged and conductivity is increased.
[Testing for immunogenic and protective properties of vaccine against tissue-inactivated rabies]. (1990)

The immunogenic and protective potency was tested of vaccine against inactivated tissue rabies developed from the Vnukovo-32 strain, and produced in the Bioveta state corporation at Ivanovice in Haná. In 21 days after an i. m. application of 3 cm3 of vaccine, the average titre of virus-neutralizing antibodies was found to be 1:47. In this period the animals were revaccinated in the same way. The average titre of virus-neutralizing antibodies was 1:99 three months after revaccination, 1:57 in six months and 1:24 in nine months. In this period a challenge test was performed in a dog using the dose of 10(5) MICLD50 of street rabies virus. This dose was implanted i. m. into masticatory muscles. Another dog was infected experimentally 18 months after immunization. The experiment has proved the good immunogenic potency of vaccine against inactivated tissue rabies and its ability to induce the protection of vaccinated dogs from the strees infection with street rabies virus. The control rabies vaccine of foreign make RABISIN was tested in a similar way.
Evidence for entry of plasma insulin into cerebrospinal fluid through an intermediate compartment in dogs. Quantitative aspects and implications for transport. (1991)

To study the route by which plasma insulin enters cerebrospinal fluid (CSF), the kinetics of uptake from plasma into cisternal CSF of both insulin and [14C]inulin were analyzed during intravenous infusion in anesthetized dogs. Four different mathematical models were used: three based on a two-compartment system (transport directly across the blood-CSF barrier by nonsaturable, saturable, or a combination of both mechanisms) and a fourth based on three compartments (uptake via an intermediate compartment). The kinetics of CSF uptake of [14C]inulin infused according to an "impulse" protocol were accurately accounted for only by the nonsaturable two-compartment model (determination coefficient [R2] = 0.879 +/- 0.044; mean +/- SEM; n = 5), consistent with uptake via diffusion across the blood-CSF barrier. When the same infusion protocol and model were used to analyze the kinetics of insulin uptake, the data fit (R2 = 0.671 +/- 0.037; n = 10) was significantly worse than that obtained with [14C]inulin (P = 0.02). Addition of a saturable component of uptake to the two-compartment model improved this fit, but was clearly inadequate for a subset of insulin infusion studies. In contrast, the three-compartment model accurately accounted for CSF insulin uptake in each study, regardless of infusion protocol (impulse infusion R2 = 0.947 +/- 0.026; n = 10; P less than 0.0001 vs. each two-compartment model; sustained infusion R2 = 0.981 +/- 0.003; n = 5). Thus, a model in which insulin passes through an intermediate compartment en route from plasma to CSF, as a part of a specialized transport system for the delivery of insulin to the brain, best accounts for the dynamics of this uptake process. This intermediate compartment could reside within the blood-CSF barrier or it may represent brain interstitial fluid, if CNS insulin uptake occurs preferentially across the blood-brain barrier.
Unknown Primary Head and Neck Squamous Cell Carcinoma: Molecular Identification of the Site of Origin (1999)

These data support the hypothesis that histopathologically benign mucosa of the upper aerodigestive tract may harbor foci of clonal, preneoplastic cells that are genetically related to metastatic HNSCC and that such mucosal sites are the sites of origin of unknown primary HNSCC. Microsatellite analysis may represent a clinically useful tool for determining such sites.
MEASURE RELATIVE NUMBERS OF LIVE AND DEAD CELLS AND NORMALIZE ASSAY DATA TO CELL NUMBER (2007)

Experimental cell biology continues to use an assortment of mammalian cells in a multitude of in vitro response models. Primary, transformed, or transfected cells are cultured in the wells of an assay plate and treated with chemical, physical or biological stimuli. The motivation for using these “cause-andeffect” models ranges from identifying critical pathway checkpoints and modulators of molecular processes within a cellular context to testing the predictive cytotoxic potential of the treatment. Nevertheless, because cellular responses are intrinsically linked to viability and cytotoxicity, researchers need to measure cellular health after experimental manipulation.