gebhart/patrepeval huggingface dataset:
Overcoming double-step CO<sub>2</sub> adsorption and minimizing water co-adsorption in bulky diamine-appended variants of Mg<sub>2</sub>(dobpdc) (2017)

Alkyldiamine-functionalized variants of the metal-organic framework Mg<sub>2</sub>(dobpdc) (dobpdc<sup>4-</sup> = 4,4'-dioxidobiphenyl-3,3'-dicarboxylate) are promising for CO<sub>2</sub> capture applications owing to their unique step-shaped CO<sub>2</sub> adsorption profiles resulting from the cooperative formation of ammonium carbamate chains. <i>Primary</i>,<i>secondary</i> (1°,2°) alkylethylenediamine-appended variants are of particular interest because of their low CO<sub>2</sub> step pressures (≤1 mbar at 40 °C), minimal adsorption/desorption hysteresis, and high thermal stability. Herein, we demonstrate that further increasing the size of the alkyl group on the secondary amine affords enhanced stability against diamine volatilization, but also leads to surprising two-step CO<sub>2</sub> adsorption/desorption profiles. This two-step behavior likely results from steric interactions between ammonium carbamate chains induced by the asymmetrical hexagonal pores of Mg<sub>2</sub>(dobpdc) and leads to decreased CO<sub>2</sub> working capacities and increased water co-adsorption under humid conditions. To minimize these unfavorable steric interactions, we targeted diamine-appended variants of the isoreticularly expanded framework Mg<sub>2</sub>(dotpdc) (dotpdc<sup>4-</sup> = 4,4''-dioxido-[1,1':4',1''-terphenyl]-3,3''-dicarboxylate), reported here for the first time, and the previously reported isomeric framework Mg-IRMOF-74-II or Mg<sub>2</sub>(pc-dobpdc) (pc-dobpdc<sup>4-</sup> = 3,3'-dioxidobiphenyl-4,4'-dicarboxylate, pc = <i>para</i>-carboxylate), which, in contrast to Mg<sub>2</sub>(dobpdc), possesses uniformally hexagonal pores. By minimizing the steric interactions between ammonium carbamate chains, these frameworks enable a single CO<sub>2</sub> adsorption/desorption step in all cases, as well as decreased water co-adsorption and increased stability to diamine loss. Functionalization of Mg<sub>2</sub>(pc-dobpdc) with large diamines such as <i>N</i>-(<i>n</i>-heptyl)ethylenediamine results in optimal adsorption behavior, highlighting the advantage of tuning both the pore shape and the diamine size for the development of new adsorbents for carbon capture applications.
Adaptive RESTful Real-time Live Streaming for Things (A-REaLiST) (2019)

This draft presents extensions to Constrained Application Protocol
(CoAP) to enable RESTful Real-time Live Streaming for improving the
Quality of Experience (QoE) for delay-sensitive Internet of Things
(IoT) applications. The overall architecture is termed Adaptive
RESTful Real-time Live Streaming for Things (A-REaLiST). It is
particularly designed for applications which rely on real-time
augmented vision through live First Person View (FPV) feed from
constrained remote agents like Unmanned Aerial Vehicle (UAV), etc.
These extensions provide the necessary hooks to help solution
designers ensure low-latency transfer of streams and, for contents
like video, a quick recovery from freeze and corruption without
incurring undue lag. A-REaLiST is an attempt to provide an integrated
approach to maintain the balance amongst QoE, resource- efficiency and
loss resilience. It provides the necessary hooks to optimize system
performance by leveraging contextual intelligence inferred from
instantaneous information segments in flight. These extensions equip
CoAP with a standard for efficient RESTful streaming for Internet of
Things (IoT) contrary to HTTP-streaming in conventional Internet.
Hybrid equalization strategies for iterative equalization and decoding (2002)

Joint iterative equalization and decoding is a very successful approach to dealing with severe intersymbol interference in band limited communication channels. We propose and investigate adaptive iterative methods that yield performance close to turbo equalisation while requiring considerably smaller complexity.
Novel Inhibitors of Hepatitis C NS3—NS4A Serine Protease Derived from 2‐Aza‐bicyclo[2.2.1]heptane‐3‐carboxylic Acid. (2006)

Abstract ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 200 leading journals. To access a ChemInform Abstract, please click on HTML or PDF.
Quantitative Phase Imagery with Total Internal Reflection Holographic Microscopy (2009)

Total internal reflection holographic microscopy is used to produce quantitative phase images of biological specimens. Quantitative cellular images, algorithmic considerations and optomechanical implementation are presented and discussed. Applications include characterization of membranes, motility and metastasis.
Abstract 3771: Identification of novel small molecule inhibitors of the inducible heat shock protein Hsp70 (2011)

Abstract The stress induced molecular chaperone Hsp70 has a role in protein folding, assembly of multi-protein complexes and transport of proteins across membranes. Overall, this protein possesses significant cytoprotective and anti-apoptotic functions. High levels of Hsp70 can be found in many cancers, and these are associated with resistance to radiation and chemotherapy. Not surprisingly, overexpression of Hsp70 is generally a marker of poor patient prognosis. These combined data suggest that Hsp70, in addition to being a potential tumor prognostic marker, may also be a desirable molecular therapeutic target. 2-phenylethynesulfonamide (PES) was previously identified as a compound that inhibits apoptosis in thymocytes, by virtue of its ability to inhibit the direct p53 mitochondrial pathway. However, the mechanism of action of PES remained unknown. We recently demonstrated that PES specifically interacts with Hsp70, disrupts the interaction between Hsp70 and its co-chaperones and client proteins, and inhibits Hsp70 function at the lysosome. We further showed that PES exhibits selective toxicity to transformed cells by virtue of its ability to inhibit autophagy, a key survival pathway utilized by tumor cells. Here-in we report that we have used deletion mapping and molecular modeling to elucidate the domain of Hsp70 that interacts with PES. Additionally, to further elucidate the mechanism of action of PES, we generated and tested several analogues of PES. We find that the ability of PES to induce the death of tumor cells consistently correlates with its ability to inhibit autophagy. Further, we identified one analogue that has superior ability to induce programmed cell death in tumor cells. We are currently analyzing the efficacy and mechanism of action of this analogue in pre-clinical models. Citation Format: {Authors}. {Abstract title} [abstract]. In: Proceedings of the 102nd Annual Meeting of the American Association for Cancer Research; 2011 Apr 2-6; Orlando, FL. Philadelphia (PA): AACR; Cancer Res 2011;71(8 Suppl):Abstract nr 3771. doi:10.1158/1538-7445.AM2011-3771
Invariant natural killer T cells are preserved in patients with glioma and exhibit antitumor lytic activity following dendritic cell‐mediated expansion (2004)

Brain tumors carry a poor prognosis, and newer approaches to their therapy are urgently needed. Natural killer T (NKT) cells are distinct innate lymphocytes with antitumor potentials. Defects in NKT cell function have been observed in patients with other forms of cancer. Here we show that both the frequency and interferon-gamma-producing function of NKT cells are well preserved in adult patients with glioma (n=9) and comparable to findings in healthy controls (n=9). These cells can be readily expanded in culture using autologous mature dendritic cells loaded with the NKT ligand, alpha-galactosyl ceramide. The expanded NKT cells from glioma patients are functional and, importantly, kill glioma cells in a ligand- and CD1d-dependent manner. Expression of CD1d is detected both on primary glioma cells as well as endothelial cells in infiltrating new blood vessels by immunohistochemistry of glioma tissue sections. These data suggest that targeting NKT cells may provide a novel strategy for immunotherapy of glioma.
TH‐D‐AUD‐01: A Dynamic Dose Delivery Model for Gamma Knife Radiosurgery (2007)

Purpose: To develop a dynamic dose delivery model for Gamma Knife radiosurgery by taking advantage of the robotic patient positioning system in the latest Gamma Knife model. Methods and Material Gamma Knife has been the treatment of choice for many brain tumors and functional disorders. Current Gamma Knife radiosurgery is a ball‐packing approach, whose goal is to “pack” the different sized spherical high‐dose volumes into a target tumor volume. We have developed a dynamic Gamma Knife treatment scheme based on the concept of “dose‐painting” to take advantage of the new robotic patient positioning system on the latest Gamma Knife unit. In our scheme, the spherical high dose volume created by the Gamma Knife unit will be viewed as a 3D spherical “paintbrush,” and treatment planning reduces to finding the best route of the “paintbrush” to “paint” a 3D tumor volume. Under our dose‐painting concept, Gamma Knife radiosurgery becomes dynamic, where the patient is moving continuously under the robotic positioning system. Planning is modeled as a variation of the traveling salesman problem. Results: A theoretical study of dynamic Gamma Knife radiosurgery scheme has been carried out for a C‐shaped tumor volume. Dose distributions are calculated using an established analytical dose calculation engine. The dose distribution of the dynamic plan is calculated by fine interpolation from equally placed and equally weighted shots. The study showed that the new dynamic scheme can provide equal or superior dose distributions with significantly (> 40%) shortened treatment time. Conclusion: We have proposed and tested a dynamic delivery scheme for Gamma Knife radiosurgery using robotic patient positioning on the latest Gamma Knife model. A prototype study has been carried out. The results showed that our dynamic scheme provides equal or better dose distributions than current Gamma Knife method but with a significantly shortened treatment time.
Cytotoxic Xanthones from <i>Psorospermum molluscum</i> from the Madagascar Rain Forest (2008)

Two new cytotoxic xanthones were isolated from extracts of the Madagascar rain forest plant Psorospermum cf. molluscum using bioassay-guided fractionation with the Escherichia coli SOS chromotest. The structures of the new dihydrofuranoxanthones, designated 3',4'-deoxy-4'-chloropsoroxanthin-(3',5'-diol) ( 1) and psoroxanthin ( 4), were determined on the basis of 2D-NMR, MS, and UV spectroscopic data and are structurally related to the psorospermins, a known class of plant antitumor agents. A new hydroxyprenylated xanthone ( 5) is also described. Xanthones 1 and 4 showed selective in vitro cytotoxicity against ABAE cells (bovine endothelial cell line).
High Performance Compaction for Test Responses with Many Unknowns (2010)

We present a new compactor architecture for extreme compaction of test responses with a high percentage of x-values. The test response data is compacted into a single, 1-bit wide bit stream. A major contribution of this work is a new technique to efficiently load x-masking data into a masking logic. A method eliminating the need for explicit mask control signals using ATE timing flexibility is also introduced. The proposed compactor can efficiently be employed in multi-chip testing. Experiments with industrial designs show that the proposed compactor enables compaction ratios exceeding 200x.
Wafer-level vacuum packaging for MEMS (1999)

Vacuum packaging of high performance infrared (IR) MEMS uncooled detectors and arrays, inertial MEMS accelerometers and gyros, and radio frequency (rf) MEMS resonators is a key issue in the technology development path to low cost, high volume MEMS production. Wafer-level vacuum packaging transfers the packaging operation into the wafer fab. It is a product neutral enabling technology for commercialization of MEMS for home, industry, automotive, and environmental monitoring applications. 4 in. wafer-level vacuum packaging has been demonstrated using IR MEMS bolometers and results will be presented in this article. In addition to the wafer-level packaging results, vacuum package reliability results obtained on component-level ceramic vacuum packages will also be presented.
Octave-spanning, high-power microstructure-fiber-based optical parametric oscillators (2007)

We investigate femtosecond optical parametric oscillators (OPO's) based on short pieces of microstructure fiber that generate sub-picosecond pulses with record average output power (50 mW) and >200 nm of wavelength tunability (yellow to near-IR). Signal and conjugate (idler)fields spanning an octave are also demonstrated. These systems can operate with a wide range of microstructure fibers, pump laser wavelengths and pulse durations, and our analysis shows that in terms of wavelength tunability and output power using short (less than a few cm's) optical fibers leads to performance that is superior to that with longer lengths.
Prior-Constrained Scale-Space Mean Shift (2006)

This paper proposes a new variational bound optimization framework for incorporating spatial prior information to the mean shift-based data-driven mode analysis, offering flexible control of the mean shift convergence. Two forms of Gaussian spatial priors are considered. Attractive prior pulls the convergence toward a desired location. Repulsive prior pushes away from such a location. Using a generic variational optimization formulation via construction of quadratic lower and upper bounds, we show that the priorconstrained mean shift step can be interpreted as an information fusion of the data and prior terms in the sense of the best linear unbiased estimator. This approach is used to propose a mode parsing algorithm using the inhibitionof-return principle. The proposed algorithm is used for a semi-automatic 3D segmentation of lung nodules in CT data for evaluating its effectiveness. Our experiments demonstrate that the proposed solution can successfully segment challenging wall-attached cases.
Oral Insulin: The Rationale for This Approach and Current Developments (2009)

Insulin remains the most effective and durable hypoglycemic agent for the treatment of diabetes. The addition of an effective oral insulin dosage form to the antidiabetes armamentarium may have significant benefits in terms of fostering compliance and adherence among patients, as well as physiologic advantages due to the fact that such a dosage form replicates the natural route of insulin secretion and absorption through the portal vein and targets the liver directly. Several companies have developed technological platforms that protect polypeptides and proteins from enzymatic hydrolysis, enable their transport across the epithelial lining, and promote their absorption from the gastrointestinal tract. A review of the potential physiological rationale and advantages, as well as of current pertinent technologies used specifically with insulin, is herewith provided.
Phone-context specific gender-dependent acoustic-models for continuous speech recognition (2002)

Gender dependent systems are usually created by splitting the training data into each gender and building two separate acoustic models for each gender. This method assumes that every state of a subphonetic model is uniformly dependent on the gender. We use the premise that the acoustic realizations of various sub phonetic units are dependent on gender in varying degrees across phones and more particularly context dependent. We show that this is indeed the case by using gender as a question in addition to phone context questions in the context decision trees. Using these trees we build phone specific gender dependent acoustic models and demonstrate a novel method to pick between genders during decoding based on a measure of confidence of the decoded hypothesis. An improvement of 6.3% in word error is achieved relative to a gender independent system.
Network-based metaanalysis identifies HNF4A and PTBP1 as longitudinally dynamic biomarkers for Parkinson’s disease (2015)

Environmental and genetic factors are likely to be involved in the pathogenesis of Parkinson's disease (PD), the second most prevalent neurodegenerative disease among the elderly. Network-based metaanalysis of four independent microarray studies identified the hepatocyte nuclear factor 4 alpha (HNF4A), a transcription factor associated with gluconeogenesis and diabetes, as a central regulatory hub gene up-regulated in blood of PD patients. In parallel, the polypyrimidine tract binding protein 1 (PTBP1), involved in the stabilization and mRNA translation of insulin, was identified as the most down-regulated gene. Quantitative PCR assays revealed that HNF4A and PTBP1 mRNAs were up- and down-regulated, respectively, in blood of 51 PD patients and 45 controls nested in the Diagnostic and Prognostic Biomarkers for Parkinson's Disease. These results were confirmed in blood of 50 PD patients compared with 46 healthy controls nested in the Harvard Biomarker Study. Relative abundance of HNF4A mRNA correlated with the Hoehn and Yahr stage at baseline, suggesting its clinical utility to monitor disease severity. Using both markers, PD patients were classified with 90% sensitivity and 80% specificity. Longitudinal performance analysis demonstrated that relative abundance of HNF4A and PTBP1 mRNAs significantly decreased and increased, respectively, in PD patients during the 3-y follow-up period. The inverse regulation of HNF4A and PTBP1 provides a molecular rationale for the altered insulin signaling observed in PD patients. The longitudinally dynamic biomarkers identified in this study may be useful for monitoring disease-modifying therapies for PD.
Pulse Width Modulation of Water Jet Propulsion Systems Using High-Speed Coanda-Effect Valves (2013)

An integrated high-speed valve switching and pump output control scheme are developed for precision maneuvering of underwater vehicles. High-speed Coanda-effect valves combined with a centrifugal pump allow for precise control of thrust force using a unique pulse width modulation (PWM) control scheme, where both pulse width and pulse height are controlled in a coordinated manner. Dead zones and other complex nonlinear dynamics of traditional propeller thrusters and water jet pumps are avoided with use of the integrated pump-valve control. Three control algorithms for coordinating valve switching and pump output are presented. A simplified nonlinear hydrodynamic model of underwater vehicles is constructed, and design trade-offs between PWM frequency and pulse height, with regard to steady state oscillations, are addressed. The control algorithms are implemented on a prototype underwater vehicle and the theoretical results are verified through experiments.
Discovery of <i>N</i>-[4-(1<i>H</i>-Pyrazolo[3,4-<i>b</i>]pyrazin-6-yl)-phenyl]-sulfonamides as Highly Active and Selective SGK1 Inhibitors (2014)

From a virtual screening starting point, inhibitors of the serum and glucocorticoid regulated kinase 1 were developed through a combination of classical medicinal chemistry and library approaches. This resulted in highly active small molecules with nanomolar activity and a good overall in vitro and ADME profile. Furthermore, the compounds exhibited unusually high kinase and off-target selectivity due to their rigid structure.
Fe-doped Beta zeolite from organotemplate-free synthesis for NH<sub>3</sub>-SCR of NO<sub>x</sub> (2016)

Structure–performance correlations suggest that the content of isolated Fe<sup>3+</sup> in the Beta zeolite affects the SCR activity directly.
Towards improved detection of attackers in computer networks: New edges, fast updating, and host agents (2013)

This paper focuses on several important topics related to subgraph anomaly detection for computer networks. First, we briefly discuss a graph based view of a computer network consisting of nodes (computers) and edges (time-series of communications between computers), and how stochastic models of groups of edges can be used to identify local anomalous areas of the network indicating the traversal of attackers. Next, the concept of a new edge, an edge between two computers that have never communicated before, is introduced, and a model for establishing the probability of such an event is provided. We follow this with a discussion of exponentially weighted moving averages for updating models of edges. Next, as measuring network data for the purposes of anomaly detection is difficult we discuss a host agent designed specifically to gather this type of data. Finally, the performance of anomaly detection using this host agent to collect data is compared with that of DNS data.
Cavity-containing aromatic oligoamide foldamers and macrocycles: progress and future perspectives (2022)

As a major class of foldamers, aromatic oligoamide foldamers have attracted intense interest. The rigidity of aromatic residues and amide linkages allows the development of foldamers with readily predictable, stable conformations. Aromatic oligoamide foldamers having backbones fully constrained by intramolecular hydrogen bonds have attracted wide attention. Depending on their lengths, such foldamers adopt crescent or helical conformations with highly negative inner cavities. Cyclizing the backbone of the aromatic oligoamides affords the corresponding macrocycles which are characterised by persistent shapes and non-deformable inner cavities. With their defined, inner cavities, such aromatic oligoamide foldamers and macrocycles have served as hosts for cationic and polar guests, and as transmembrane channels for transporting ions and molecules. Recent synthetic progress resulted in the construction of multi-turn hollow helices that offer three-dimensional inner pores with adjustable depth. Reducing the number of backbone-constraining hydrogen bonds leads to oligoamides which, with their partially constrained backbones, undergo either solvent- or guest-dependent folding. One class of such aromatic olgioamide foldamders, which offer multiple backbone amide NH groups as hydrogen-bond donors, are designed to bind anions with adjustable affinities.
Hyperfine interaction in spin response of organic devices (2010)

Recent advances in spin response of organic semiconductors include long polaron spin coherence time measured by optically detected magnetic resonance (ODMR); substantive room-temperature magneto-electroluminescence and magneto-conductance obtained in organic light emitting diodes (OLED); and spin-polarized carrier injection from ferromagnetic electrodes in organic spin valves (OSV). Although the hyperfine interaction (HFI) has been foreseen to play an important role in organic spin response, clear experimental evidence has been lacking. Using the chemical versatility advantage of the organics, we studied and compared spin responses in films, OLED and OSV devices based on π-conjugated polymers made of protonated, H-, and deuterated, D-hydrogen having a weaker HFI strength. We demonstrate that the HFI plays a crucial role in all three spin responses. OLEDs and films based on the D-polymers show substantial narrower magneto-electroluminescence, magneto-conductivity and ODMR responses; whereas due to the longer spin diffusion, OSV devices based on D-polymers show substantially larger magnetoresistance that reaches ~330% at small bias voltage and low temperatures.