gebhart/patrepeval huggingface dataset:
Self-Assembly from the Gas-Phase: Design and Implementation of Small-Molecule Chromophore Precursors with Large Nonlinear Optical Responses (2009)

Efficiently organizing molecular nonlinear optical (NLO) chromophores having large first-order hyperpolarizabilities (beta) into acentric microstructures for electro-optic (EO) applications represents a significant materials synthesis and processing challenge, in part due to interchromophore dipolar interactions that promote centrosymmetric organization. Here we report the computational modeling, synthesis, and characterization of a series of eight heteroaromatic organic chromophores, designed to self-organize from the vapor phase via directed hydrogen-bond networks, into acentric thin films. Introduction of alpha,omega-donor-acceptor hydrogen-bonding substituents along the molecular long axes tunes properties such as hyperpolarizability, volatility, thermal stability, film-forming properties, and macroscopic NLO response (chi((2))). DFT-level molecular modeling, INDO/S optical property analysis, and sum-overstates computation indicate that molecular-core fluorination and hydrogen-bond donor incorporation can increase beta(vec) up to 40x versus that of typical fluorine-free chromophores. Furthermore, inclusion of sterically induced biphenyl conjugative decoupling between chromophore pi-donor substituents and the hydrogen-bonding donor sites increases beta by approximately 50%. Experimental thin-film second harmonic generation (SHG) spectroscopy confirms these trends in calculated responses, with chi((2)) increasing 7.5x upon chromophore core fluorination and 15x with hydrogen-bonding donor substitution, thereby achieving macroscopic responses as high as 302 pm/V at omega(o) = 1064 nm. In addition to response trends, cluster calculations also reveal linear additivity in beta(vec) with catenation for all benzoic acid-containing chromophores up to longitudinally aligned trimers. Linear scaling of SHG response with film thickness is observed for benzoic acid-containing chromophores up to 1.0 microm film thickness.
Creating Secrets Out of Packet Erasures (2016)

We present protocols for creating pairwise secrets between nodes in a wireless network, so that these secrets are secure from an eavesdropper, Eve, with unbounded computational and memory capabilities, but with limited network presence. We first present a basic secret-agreement protocol for single-hop networks, where secrets are constructed using traffic exchanged between the nodes, and we show that under standard theoretical assumptions, our protocol is information-theoretically secure. Second, we propose a secret-agreement protocol for arbitrary, multi-hop networks that build on the basic protocol but also comprises design features for leveraging additional sources, that multi-hop offers, for secrecy. Finally, we evaluate our protocols, and we provide experimental evidence that it is feasible to create thousands of secret bits per second, in realistic wireless setups, the security of which is independent of Eve’s computational capabilities.
Reduction of tumorigenicity and of dihydrodiol formation by fluorine substitution in the angular rings of dibenzo(a,i)pyrene. (1981)

The tumor-initiating activities on mouse skin and in vitro metabolism of dibenzo(a,i)pyrene, 2-fluorodibenzo(a,i)pyrene, 3-fluorodibenzo(a,i)pyrene, and 2, 10-difluorodibenzo(a,i)pyrene were compared. After an initiating dose of 500 micrograms, followed by promotion with tetradecanoylphorbol acetate, dibenzo(a,i)pyrene induced skin tumors in 85% of the mice and caused 5.8 skin tumors/mouse. The corresponding tumorigenic activities for the fluorinated compounds were: 2-fluorodibenzo(a,i)pyrene (85%; 1.7 tumors/mouse); 3-fluorodibenzo(a,i)pyrene (80%; 3.1 tumors/mouse); and 2,10-difluorodibenzo(a,i)pyrene (10%; 0.1 tumors/mouse). After an initiating dose of 100 micrograms, only dibenzo(a,i)pyrene showed significant tumor-initiating activity. 3,4-Dihydro-3,4-dihydroxydibenzo(a,i)pyrene was identified as a metabolite of dibenzo(a,i)pyrene formed by the 9000 X g supernatant from the livers of Aroclor 1254-pretreated rats. Another dihydrodiol was tentatively identified as 1,2-dihydro-1,2-dihydroxydibenzo(a,i)pyrene. The formation of these angular ring dihdrodiols was inhibited in the metabolism of 2-fluorodibenzo(a,i)pyrene and 3-fluorodibenzo(a,i)pyrene. Angular ring dihydrodiols were not detected in the metabolism of 2,10-difluorodibenzo(a,i)pyrene. These results suggest that an angular ring dihydrodiol, 3,4-dihydro-3,4-dihydroxydibenzo(a,i)pyrene, which can form a bay-region dihydrodiol epoxide, may be a proximate carcinogen of dibenzo(a,i)pyrene.
Supplementary Tables S1-S3 from Colocalization of the Tetraspanins, CO-029 and CD151, with Integrins in Human Pancreatic Adenocarcinoma: Impact on Cell Motility (2023)

Supplementary Tables S1-S3 from Colocalization of the Tetraspanins, CO-029 and CD151, with Integrins in Human Pancreatic Adenocarcinoma: Impact on Cell Motility
Diagnosis, Genetics, and Therapy of Short Stature in Children: A Growth Hormone Research Society International Perspective (2019)

The Growth Hormone Research Society (GRS) convened a Workshop in March 2019 to evaluate the diagnosis and therapy of short stature in children. Forty-six international experts participated at the invitation of GRS including clinicians, basic scientists, and representatives from regulatory agencies and the pharmaceutical industry. Following plenary presentations addressing the current diagnosis and therapy of short stature in children, breakout groups discussed questions produced in advance by the planning committee and reconvened to share the group reports. A writing team assembled one document that was subsequently discussed and revised by participants. Participants from regulatory agencies and pharmaceutical companies were not part of the writing process. Short stature is the most common reason for referral to the pediatric endocrinologist. History, physical examination, and auxology remain the most important methods for understanding the reasons for the short stature. While some long-standing topics of controversy continue to generate debate, including in whom, and how, to perform and interpret growth hormone stimulation tests, new research areas are changing the clinical landscape, such as the genetics of short stature, selection of patients for genetic testing, and interpretation of genetic tests in the clinical setting. What dose of growth hormone to start, how to adjust the dose, and how to identify and manage a suboptimal response are still topics to debate. Additional areas that are expected to transform the growth field include the development of long-acting growth hormone preparations and other new therapeutics and diagnostics that may increase adult height or aid in the diagnosis of growth hormone deficiency.
Advanced Model Compounds for Understanding Acid-Catalyzed Lignin Depolymerization: Identification of Renewable Aromatics and a Lignin-Derived Solvent (2016)

The development of fundamentally new approaches for lignin depolymerization is challenged by the complexity of this aromatic biopolymer. While overly simplified model compounds often lack relevance to the chemistry of lignin, the direct use of lignin streams poses significant analytical challenges to methodology development. Ideally, new methods should be tested on model compounds that are complex enough to mirror the structural diversity in lignin but still of sufficiently low molecular weight to enable facile analysis. In this contribution, we present a new class of advanced (β-O-4)-(β-5) dilinkage models that are highly realistic representations of a lignin fragment. Together with selected β-O-4, β-5, and β-β structures, these compounds provide a detailed understanding of the reactivity of various types of lignin linkages in acid catalysis in conjunction with stabilization of reactive intermediates using ethylene glycol. The use of these new models has allowed for identification of novel reaction pathways and intermediates and led to the characterization of new dimeric products in subsequent lignin depolymerization studies. The excellent correlation between model and lignin experiments highlights the relevance of this new class of model compounds for broader use in catalysis studies. Only by understanding the reactivity of the linkages in lignin at this level of detail can fully optimized lignin depolymerization strategies be developed.
Outage balancing in multiuser MISO networks: Network duality and algorithms (2012)

This paper studies joint beamforming and power control in a multiuser MISO interference network with statistical channel information. Such information consists of the slow-varying covariance matrices in the beamforming network, and can be employed to reduce instantaneous feedback needs. With the outage event induced by the utilization of statistical channel information, we optimize signal transmission strategies to minimize the maximum outage probability under weighted sum power constraint to achieve outage balancing in the interference network. Under the condition of fixed beamformer, we use nonlinear Perron-Frobenius theory to present a decentralized algorithm with provable geometrically fast convergence rate to compute the optimal power. Since the joint beamformer and power optimization problem is non-convex, we examine its certainty-equivalent margin counterpart. By leveraging nonlinear Perron-Frobenius theory and the established network duality, we present a near-optimal decentralized algorithm to jointly optimize the beamformer and power. The algorithm converges quickly and the convergence rate of the algorithm is proven to be geometrical.
ChemInform Abstract: A Priori Calculations of pKa′s for Organic Compounds in Water. The pKa of Ethane. (1988)

Abstract The simulation methodology developed is applied for the pKa's of MeCN and ethane relative to Me‐SH.
High-Frame-Rate Doppler Ultrasound Using a Repeated Transmit Sequence (2018)

The maximum detectable velocity of high-frame-rate color flow Doppler ultrasound is limited by the imaging frame rate when using coherent compounding techniques. Traditionally, high quality ultrasonic images are produced at a high frame rate via coherent compounding of steered plane wave reconstructions. However, this compounding operation results in an effective downsampling of the slow-time signal, thereby artificially reducing the frame rate. To alleviate this effect, a new transmit sequence is introduced where each transmit angle is repeated in succession. This transmit sequence allows for direct comparison between low resolution, pre-compounded frames at a short time interval in ways that are resistent to sidelobe motion. Use of this transmit sequence increases the maximum detectable velocity by a scale factor of the transmit sequence length. The performance of this new transmit sequence was evaluated using a rotating cylindrical phantom and compared with traditional methods using a 15-MHz linear array transducer. Axial velocity estimates were recorded for a range of <i>±</i>300 mm/s and compared to the known ground truth. Using these new techniques, the root mean square error was reduced from over 400 mm/s to below 50 mm/s in the high-velocity regime compared to traditional techniques. The standard deviation of the velocity estimate in the same velocity range was reduced from 250 mm/s to 30 mm/s. This result demonstrates the viability of the repeated transmit sequence methods in detecting and quantifying high-velocity flow.
The benefits of general-purpose on-NIC memory (2022)

We propose to use the small, newly available on-NIC memory ("nicmem") to keep pace with the rapidly increasing performance of NICs. We motivate our proposal by accelerating two types of workload classes: NFV and key-value stores. As NFV workloads frequently operate on headers---rather than data---of incoming packets, we introduce a new packet-processing architecture that splits between the two, keeping the data on nicmem when possible and thus reducing PCIe traffic, memory bandwidth, and CPU processing time. Our approach consequently shortens NFV latency by up to 23% and increases its throughput by up to 19%. Similarly, because key-value stores commonly exhibit skewed distributions, we introduce a new network stack mechanism that lets applications keep frequently accessed items on nicmem. Our design shortens memcached latency by up to 43% and increases its throughput by up to 80%.
Single Particle Nanoplasmonic Sensing in Individual Nanofluidic Channels (2017)

By combining the precise mass transport control of nanofluidics with the single particle sensing abilities of nanoplasmonics we demonstrate real time single particle parallel readout of multiple nanofluidic channels from the same chip using plasmonic nanospectroscopy.The exceptional label-free sensitivity of individual plasmonic nanoparticles combined with dark-field scattering spectroscopy has proven to be a powerful tool in catalysis[1], materials science[2], and gas sensing[3], as well as to detect single molecular binding events[4]. However, despite the proven sensitivity of single particle plasmonic nanosensors, the detection of ultralow concentrations of specific analyte molecules is limited by the fact that they usually are free to diffuse away from the sensing surface, which gives rise to unpractical detection times on the order of days.As a first step to alleviate this limitation, we present an integrated nanoplasmonic-nanofluidic platform comprised of nanochannels integrated with a single plasmonic nanoantenna sensor, schematically presented in Fig 1. The dimensions of the nanofluidic system are chosen such that the entire volume of analyte solution is forced to pass the plasmonic sensor within the decay length of the near field, in order to significantly enhance the probability of direct interaction of the sensor surface with analyte in the channel. The developed devices enable on-chip referenced parallel single particle nanoplasmonic sensing inside multiple individual nanofluidic channels with dimensions down to the 100 nm range. Beyond detailed discussion of the nanofabrication, general device characterization, and parallelized single particle plasmonic readout concepts, we present the device function on two examples: (i) in situ measurements of local buffer concentrations inside a nanofluidic channel; (ii) real time binding kinetics of alkanethiol molecules to a single plasmonic nanoantenna sensor in a single nanochannel.
EFFECTS of HIGH‐PRESSURE APPLICATION ON SUBSEQUENT ATMOSPHERIC SOAKING of CORN (1992)

ABSTRACT Atmospheric‐soaking tests were performed on two varieties of corn samples subjected to a pretreatment of high‐pressure soaking at 10.5, 21, and 35 MPa. Soaking tests were also conducted with samples without any pretreatment at different soaking temperatures of 20, 40, 60, and 100C. Increased duration of initial high‐pressure soaking was found to reduce the rate of moisture absorption during the subsequent atmospheric soaking. Predicted soaking times required for the samples to reach 45% moisture content increased with increase in applied pressure and with increase in the duration of high‐pressure application. Therefore, initial high‐pressure application should be limited to a low pressure level and only for a short duration. Compared with the results of the high‐temperature soaking tests, initial high‐pressure application does help to shorten the steeping time required at atmospheric conditions but not to the extent to compensate for the effect of high temperatures.
Social inclusion It's all in the planning (2006)

Journal Article Social inclusion It's all in the planning Get access Chris Mairs Chris Mairs Chief technical officer of the MetaSwitch division of Data Connection and chairman of the charity a-technic. Search for other works by this author on: Oxford Academic Google Scholar ITNOW, Volume 48, Issue 5, September 2006, Pages 16–17, https://doi.org/10.1093/itnow/bwl052 Published: 01 September 2006
Understanding distributed fiber-optic sensing response for modeling of signals (2018)

Distributed fiber optic acoustic sensing is becoming widely used and modeling of the signals is an essential tool. Here we examine the response of the fiber to imposed strain to assist in calibration of models. The response is estimated numerically using both semi-analytic and numerical models and then tested in the laboratory and field. Presentation Date: Thursday, October 18, 2018 Start Time: 8:30:00 AM Location: 212A (Anaheim Convention Center) Presentation Type: Oral
SCFI: State Machine Control-Flow Hardening Against Fault Attacks (2022)

Fault injection (FI) is a powerful attack methodology allowing an adversary to entirely break the security of a target device. As finite-state machines (FSMs) are fundamental hardware building blocks responsible for controlling systems, inducing faults into these controllers enables an adversary to hijack the execution of the integrated circuit. A common defense strategy mitigating these attacks is to manually instantiate FSMs multiple times and detect faults using a majority voting logic. However, as each additional FSM instance only provides security against one additional induced fault, this approach scales poorly in a multi-fault attack scenario. In this paper, we present SCFI: a strong, probabilistic FSM protection mechanism ensuring that control-flow deviations from the intended control-flow are detected even in the presence of multiple faults. At its core, SCFI consists of a hardened next-state function absorbing the execution history as well as the FSM's control signals to derive the next state. When either the absorbed inputs, the state registers, or the function itself are affected by faults, SCFI triggers an error with no detection latency. We integrate SCFI into a synthesis tool capable of automatically hardening arbitrary unprotected FSMs without user interaction and open-source the tool. Our evaluation shows that SCFI provides strong protection guarantees with a better area-time product than FSMs protected using classical redundancy-based approaches. Finally, we formally verify the resilience of the protected state machines using a pre-silicon fault analysis tool.
Effect of Cathode Side Cationic Contamination on the Performance of an Operating PEFC (2009)

A computational fluid dynamics model is developed to study the effect of cationic contamination on the performance of a polymer electrolyte fuel cell (PEFC). The fuel cell model incorporates mass, species, momentum and heat balances along with the ionic and electronic charge conservations. To model the transport of the cationic species, Nernst-Planck equations are used while taking into consideration of local electroneutrality in the ionomer phase. The diffusive fluxes of the cations are implemented in the Nernst-Planck equations such that they take into account adsorption of the species. A steady-state analysis is carried out to address the effects of contamination on the operating fuel cell performance. It is observed that contamination significantly reduces the output power density of the PEFC by occupying the available charge sites inside the ionomer.
Trans-telephonic monitoring of continuous haemodynamic measurements in heart failure patients (2005)

The development of an implantable haemodynamic monitor (IHM) has made possible the home monitoring of a patient's central haemodynamic trends during daily living. We have evaluated the usability and transmission success of such a system over a 3.2-year period. Patients with an IHM were able to transmit the stored data every week to a Web server, where trend plots and tables of haemodynamic variables could be viewed by the health-care staff concerned. Data transfer was examined from August 2000 to November 2003. During this period, 148 patients had an IHM implanted. Over the study period, 7791 data transmissions were performed and an average of 286 downloads per month were sent to the Web server. In all, 86% of data transmissions were successful, although 10% required more than one attempt. The study demonstrated that telemonitoring of haemodynamic data from an IHM was feasible. A patient survey showed that the technology was user-friendly and that the training material provided sufficient information for patients and their families to install and use the transmission equipment at home. It also suggested that transmission success was independent of patient age or gender.
Stabilization of high-cobalt-content perovskites for use as cathodes in solid oxide fuel cells (2013)

B-site modification of the high-cobalt-content perovskite Ba0.5Sr0.5Co0.8Fe0.2O3−δ reduces its thermal expansion coefficient and stabilizes its structure, allowing its long-term operation without degradation of the area-specific resistance, and thus, maintaining the high electrode performance.
2D and 3D Stem Cell Models of Primate Cortical Development Identify Species-Specific Differences in Progenitor Behavior Contributing to Brain Size (2016)

Variation in cerebral cortex size and complexity is thought to contribute to differences in cognitive ability between humans and other animals. Here we compare cortical progenitor cell output in humans and three nonhuman primates using directed differentiation of pluripotent stem cells (PSCs) in adherent two-dimensional (2D) and organoid three-dimensional (3D) culture systems. Clonal lineage analysis showed that primate cortical progenitors proliferate for a protracted period of time, during which they generate early-born neurons, in contrast to rodents, where this expansion phase largely ceases before neurogenesis begins. The extent of this additional cortical progenitor expansion differs among primates, leading to differences in the number of neurons generated by each progenitor cell. We found that this mechanism for controlling cortical size is regulated cell autonomously in culture, suggesting that primate cerebral cortex size is regulated at least in part at the level of individual cortical progenitor cell clonal output.
Revisiting the Role of Occipital Artery Resection in Greater Occipital Nerve Decompression (2022)

Therapeutic, III.
C5a receptor enables participation of mast cells in immune complex arthritis independently of Fcγ receptor modulation (2010)

Stimulation via C5aR is required to unleash the proinflammatory activity of synovial mast cells in immune complex arthritis, albeit via a mechanism that is distinct from C5a-modulated expression of FcγR.