gebhart/patrepeval huggingface dataset:
Density Functional Theory Study of Ligand Binding on CdSe (0001), (0001), and (1120) Single Crystal Relaxed and Reconstructed Surfaces:  Implications for Nanocrystalline Growth (2006)

To gain a better understanding of the influence of ligand-surface interactions on nanocrystalline growth, periodic density functional theory calculations were employed in the study of the binding of organic ligands on the relaxed nonpolar (1120) and polar Se terminated (0001) surfaces and the relaxed and vacancy and adatom reconstructed Cd terminated (0001) surface. We examined chemisorption properties of phosphine, amine, phosphine oxide, carboxylic acid, and phosphinic acid model ligands, including preferred binding sites and geometries, vibrational frequencies, and binding energetics, and compared findings to intrinsic growth via addition of CdSe molecules or Cd and Se atoms. Our results indicate that binding of the ligands is preferred in the electron-poor 1-fold sites on all surfaces, with secondary coordination of the acidic ligands through the hydroxyl hydrogen to the electron-rich surface sites. In general ligand adsorption directly obstructs binding sites for growth species on the (1120) surface and only indirectly on the two polar surfaces. The order of binding affinities on the (1120) and (0001) surfaces is PH(3) < OPH(3) approximately HCOOH < NH(3) < OPH(2)OH and that on the (0001) surface is OPH(3) approximately HCOOH < OPH(2)OH < NH(3) < PH(3). Our findings corroborate the experimental observation that incorporation of the nonbulky phosphinic acid-type ligands with high affinity and high selectivity for both the (1120) and (0001) surfaces strongly enhances unidirectional growth on the (0001) surface, while incorporation of either bulky ligands or ligands with moderate affinity does not. Higher affinity of all traditionally used ligands for the (1120) surface compared to the (0001) surface also suggests that new ligands should be engineered to achieve the synthesis of novel shapes that require preferential growth on the (1120) surface.
In-flow measurement of cell–cell adhesion using oscillatory inertial microfluidics (2020)

Multicellular clusters in circulation can exhibit a substantially different function and biomarker significance compared to individual cells. Notably, clusters of circulating tumor cells (CTCs) are much more effective initiators of metastasis than single CTCs, and correlate with worse patient prognoses. Measuring the cell-cell adhesion strength of CTC clusters is a critical step towards understanding their subsistence in the circulation and mechanism of elevated tumorigenicity. However, measuring cell-cell adhesion forces in flow is elusive using existing methods. Here, we report an oscillatory inertial microfluidics system which exerts a repeating fluidic force profile on suspended cell doublets to determine their cell-cell adhesion strength (F<sub>s</sub>), without any biophysical modifications to the cell surface and physiological morphology. Using our system, we analyzed a large number (N > 500) of doublets from a patient-derived breast cancer CTC line. We discovered that the cell-cell adhesion strength of CTC doublets varied almost 20-fold between the weakly adhered (F<sub>s</sub> < 28 nN) and strongly bound subpopulations (F<sub>s</sub> > 542 nN). Our system can be used with other cancer or noncancer cells without restrictions, and may be used for rapid screening of drugs aiming to disrupt the highly-metastatic CTC clusters in circulation.
Printable EO-Polymer Modulators (2013)

An EO polymer modulator is fabricated utilizing a combination of UV imprinting and ink-jet printing, and operation up to 15MHz is demonstrated. The measured V-pi of the modulator is 8V. This process will increase throughput and reduce cost.
Electro-Optic-Modulator-Based Integrated Optical Isolator (2022)

We realized an optical isolation of 48 dBm using a travelling-wave electro-optic phase modulator on thin-film lithium niobate platform. We showed our device successfully protects the linewidth of an integrated III-V laser.
ACM SIGAI activity report (2017)

We are happy to present the annual activity report of ACM SIGAI, covering the period from July 2016 to June 2017. The scope of ACM SIGAI consists of the study of intelligence and its realization in computer systems (see also its website at sigai.acm.org). This includes areas such as autonomous agents, cognitive modeling, computer vision, constraint programming, human language technologies, intelligent user interfaces, knowledge discovery, knowledge representation and reasoning, machine learning, planning and search, problem solving and robotics. Members of ACM SIGAI come from academia, industry and government agencies worldwide. ACM SIGAI is proud of the fact that many AI researchers in the past year received ACM honors, including becoming ACM fellows as well as receiving other awards. ACM SIGAI is committed to increase its activities in order to support its members even better. In order to do so, ACM SIGAI has created several new appointed officer positions, namely an industry liaison officer, an award officer and two ethics officers. In the course of the last year, ACM SIGAI has been responsive to specific events and circumstances as well as continued to support and expand a range of regular activities.
1-Naphthylcarbene: spectroscopy, kinetics, and mechanisms (1986)

NRC publication: Yes
Simulations of multi-contrast x-ray imaging using near-field speckles (2016)

X-ray dark-field and phase-contrast imaging using near-field speckles is a novel technique that overcomes limitations inherent in conventional absorption x-ray imaging, i.e. poor contrast for features with similar density. Speckle-based imaging yields a wealth of information with a simple setup tolerant to polychromatic and divergent beams, and simple data acquisition and analysis procedures. Here, we present a simulation software used to model the image formation with the speckle-based technique, and we compare simulated results on a phantom sample with experimental synchrotron data. Thorough simulation of a speckle-based imaging experiment will help for better understanding and optimising the technique itself.
Coherent polarization locking of thermal-sensitive Ho:YAG laser (2012)

We had demonstrated the advantage of using Coherent Polarization Locking on thermal-sensitive Ho:YAG laser cavity. We overcome several thermal issues related to Ho:YAG laser by distributing the gain over a large volume. We passively coherent locked two orthogonal polarized lasers, achieving 9.6W of output power with near perfect (greater than 99%) combining efficiency. The resultant laser produced near diffraction-limited beam quality of M<sup>2</sup> ~1.1 and excellent power stability. As compared to conventional laser cavity, we had shown the increased in single-pass absorption, suppression of output power saturation and improvement in beam quality using Coherent Polarization Locking.
A 280 mV-to-1.1 V 256b Reconfigurable SIMD Vector Permutation Engine With 2-Dimensional Shuffle in 22 nm Tri-Gate CMOS (2012)

An ultra-low voltage reconfigurable 4-way to 32-way SIMD vector permutation engine is fabricated in 22 nm tri-gate bulk CMOS, consisting of a 32-entry × 256b 3-read/1-write ported register file with a 256b byte-wise any-to-any permute crossbar for 2-dimensional shuffle. The register file integrates a vertical shuffle across multiple entries into read/write operations, and includes clock-less static reads with shared P/N dual-ended transmission gate (DETG) writes, improving register file V <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">MIN</sub> by 250 mV across PVT variations with a wide dynamic operating range of 280 mV-1.1 V. The permute crossbar implements an interleaved folded byte-wise multiplexer layout forming an any-to-any fully connected tree to perform a horizontal shuffle with permute accumulate circuits, and includes vector flip-flops, stacked min-delay buffers, shared gates, and ultra-low voltage split-output (ULVS) level shifters improving logic V <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">MIN</sub> by 150 mV, while enabling peak energy efficiency of 585 GOPS/W measured at 260 mV, 50 °C. The permutation engine achieves: (i) nominal register file performance of 1.8 GHz, 106 mW measured at 0.9 V, 50 °C, (ii) robust register file functionality measured down to 280 mV with peak energy efficiency of 154 GOPS/W, (iii) scalable permute crossbar performance of 2.9 GHz, 69 mW measured at 1.1 V, 50 °C with sub-threshold operation at 240 mV, 10 MHz consuming 19 μW, and (iv) a 64b 4 × 4 matrix transpose algorithm and AoS to SoA conversion with 40%-53% energy savings and 25%-42% improved peak throughput measured at 1.8 GHz, 0.9 V.
Impact of statistical variability and charge trapping on 14 nm SOI FinFET SRAM cell stability (2013)

Variability is a critical concern for the stability and yield of SRAM with minimized size. We present a study of a 14 nm node SOI FinFET SRAM cell under the influence of statistical variability and random charge trapping due to positive/negative bias temperature instability (P/NBTI). Low channel doping is believed to be one of the main advantages of FinFETs in reducing statistical variability, but fin and gate edge roughness and metal gate granularity can cause significant variability and affect SRAM stability. The noise margins are largely skewed, and read and write noise margins are decorrelated due to statistical variability. Under heavy stress conditions cell read noise margin can be degraded by 30mV on average due to charge trapping, and its 6σ-yield becomes even worse due to the enhanced variability in N/PBTI.
Testing vs. code inspection vs. what else? (2008)

Little is known about the strategies end-user programmers use in debugging their programs, and even less is known about gender differences that may exist in these strategies. Without this type of information, designers of end-user programming systems cannot know the "target" at which to aim, if they are to support male and female end-user programmers. We present a study investigating this issue. We asked end-user programmers to debug spreadsheets and to describe their debugging strategies. Using mixed methods, we analyzed their strategies and looked for relationships among participants' strategy choices, gender, and debugging success. Our results indicate that males and females debug in quite different ways, that opportunities for improving support for end-user debugging strategies for both genders are abundant, and that tools currently available to end-user debuggers may be especially deficient in supporting debugging strategies used by females.
Atomic force microscopy analysis of central nervous system cell morphology on silicon carbide and diamond substrates (2009)

Brain machine interface (BMI) devices offer a platform that can be used to assist people with extreme disabilities, such as amyotrophic lateral sclerosis (ALS) and Parkinson's disease. Silicon (Si) has been the material of choice used for the manufacture of BMI devices due to its mechanical strength, its electrical properties and multiple fabrication techniques; however, chronically implanted BMI devices have usually failed within months of implantation due to biocompatibility issues and the fact that Si does not withstand the harsh environment of the body. Single crystal cubic silicon carbide (3C-SiC) and nanocrystalline diamond (NCD) are semiconductor materials that have previously shown good biocompatibility with skin and bone cells. Like Si, these materials have excellent physical characteristics, good electrical properties, but unlike Si, they are chemically inert. We have performed a study to evaluate the general biocompatibility levels of all of these materials through the use of in vitro techniques. H4 human neuroglioma and PC12 rat pheochromocytoma cell lines were used for the study, and polystyrene (PSt) and amorphous glass were used as controls or for morphological comparison. MTT [3-(4,5-Dimethylthiazol-2-Yl)-2,5-Diphenyltetrazolium Bromide] assays were performed to determine general cell viability with each substrate and atomic force microscopy (AFM) was used to quantify the general cell morphology on the substrate surface along with the substrate permissiveness to lamellipodia extension. 3C-SiC was the only substrate tested to have good viability and superior lamellipodia permissiveness with both cell lines, while NCD showed a good level of viability with the neural H4 line but a poor viability with the PC12 line and lower permissiveness than 3C-SiC. Explanations pertaining to the performance of each substrate with both cell lines are presented and discussed along with future work that must be performed to further evaluate specific cell reactions on these substrates.
Atrial Fibrillation and Stroke Management: Present and Future (2010)

Stroke remains the leading cause of disability and the third leading cause of death. Despite advances in treatment, the early and later outcomes remain poor with a high rate of death and or disability. Strategies for prevention have assumed a central role. Given the close relationship between advancing age, atrial fibrillation, and increasing stroke, there is great interest in this large specific population of patients. Although warfarin has been the cornerstone of therapy for stroke prevention in patients with atrial fibrillation, it is often not used because of absolute or relative contraindications, or is ineffective because of poor control of the international normalized ratio (INR). The relative risk-benefit ratio of stroke prevention versus bleeding hazard plays a central role in therapeutic decisions. New pharmacologic approaches have been studied, most recently direct thrombin inhibitors. These drugs may be associated with less bleeding than warfarin, although there continues to be incremental bleeding risk over a patient's lifetime. In patients with nonvalvular atrial fibrillation, device strategies are being tested. These are based upon the information that in such patients, stroke arises from thrombus in the left atrial appendage in 90% of cases. Left atrial appendage occlusion has now been tested in a randomized clinical trial. In this trial, device closure was found to be noninferior to warfarin for prevention of all-cause stroke, cardiac death, and systemic embolization. There was an early safety hazard typically related to periprocedural pericardial effusions; however, subsequent experience has continued to document excellent efficacy and improved safety profiles. New randomized trials and registries continue to explore the potential for device placement as an alternative to anticoagulant therapy for stroke prevention in this group of patients.
Interaction of Defects with Quantum Well States: Electrostatic-Dependant Response Time for Traps in AlGaN/GaN HEMTs (2013)

Recovery transients in high-voltage AlGaN/GaN HEMTs following both blocking voltage and ON-state stress show strong dependence on stress time. The defect time constant spectra exhibit a temperature-dependant component (TG1, E a = 0.6 eV) and a temperature-independent component (TG2). With increased stress time and larger current collapse, the time constants for TG2 become progressively longer. The stress-time-dependent behavior of TG2 is shown to be consistent with the capture of trapped carriers in the AlGaN barrier directly by quantum well states, originating from the same defect giving rise to the 0.6 eV behavior. By modulating this alternate recombination pathway, the electric field normal to the AlGaN/GaN interface is shown to have a strong effect on reducing the response time of the trap to several orders of magnitude below its bulk response time. This demonstrates that barrier design may be utilized to tune the recovery characteristics of the HEMT.
Meta-omic Characterization of the Marine Invertebrate Microbial Consortium That Produces the Chemotherapeutic Natural Product ET-743 (2011)

In many macroorganisms, the ultimate source of potent biologically active natural products has remained elusive due to an inability to identify and culture the producing symbiotic microorganisms. As a model system for developing a meta-omic approach to identify and characterize natural product pathways from invertebrate-derived microbial consortia, we chose to investigate the ET-743 (Yondelis) biosynthetic pathway. This molecule is an approved anticancer agent obtained in low abundance (10(-4)-10(-5) % w/w) from the tunicate Ecteinascidia turbinata and is generated in suitable quantities for clinical use by a lengthy semisynthetic process. On the basis of structural similarities to three bacterial secondary metabolites, we hypothesized that ET-743 is the product of a marine bacterial symbiont. Using metagenomic sequencing of total DNA from the tunicate/microbial consortium, we targeted and assembled a 35 kb contig containing 25 genes that comprise the core of the NRPS biosynthetic pathway for this valuable anticancer agent. Rigorous sequence analysis based on codon usage of two large unlinked contigs suggests that Candidatus Endoecteinascidia frumentensis produces the ET-743 metabolite. Subsequent metaproteomic analysis confirmed expression of three key biosynthetic proteins. Moreover, the predicted activity of an enzyme for assembly of the tetrahydroisoquinoline core of ET-743 was verified in vitro. This work provides a foundation for direct production of the drug and new analogues through metabolic engineering. We expect that the interdisciplinary approach described is applicable to diverse host-symbiont systems that generate valuable natural products for drug discovery and development.
Overview of the energy storage systems for wind power integration enhancement (2010)

As the installed worldwide wind energy capacity increases about 30% annually and Kyoto protocol that came in force in 2005, wind penetration level in power system is considered to significantly increase in near future. Due to increased penetration and nature of the wind, especially its intermittency, partly unpredictability and variability, wind power can put the operation of power system into risk. This can lead to problems with grid stability, reliability and the energy quality.
Correlation between TEM, SAXS and DSC to investigate the influence of SPD on precipitation mechanisms of an Al-Zn-Mg-Cu alloy (2020)

This study allowed to understand the influence of severe plastic deformation by High Pressure Torsion (HPT) on an Al-Zn-Mg-Cu alloy and more especially the influence on precipitation mechanisms thanks to the correlation between DSC, SAXS and STEM data. A shear strain of γ ≈ 200 was first applied to the alloy. This deformation leads to nanostructuration, creation of high density of defects but also solute segregation to boundaries and dynamic precipitation. These specific microstructural features give rise to an acceleration of precipitation kinetics during heat treatments but also to a lower precipitation temperature and a modification of final precipitates size distribution as compared to the un-deformed alloy.
(Invited) Floating Gate Type SOI-FinFET Flash Memories with Different Channel Shapes and Interpoly Dielectric Materials (2016)

The floating gate (FG)-type silicon-on-insulator (SOI)-FinFET flash memories with triangular-fin (TF) and rectangular-fin (RF) channels and with different interpoly dielectric (IPD) materials have been successfully fabricated using (100)- and (110)-oriented SOI wafers and orientation dependent wet etching. The electrical characteristics of the fabricated FG-type SOI-FinFET flash memories including threshold voltage (V t ) variability, program/erase (P/E) speed, memory window, endurance, and data retention at room temperature and 85 o C have been comparatively investigated. It was experimentally found that the TF channel flash memory with an Al 2 O 3 -nitride-oxide (ANO) IPD layer shows a higher P/E speed, a larger memory window, and a lower-voltage operation as compared to the RF channel flash memories with the same ANO IPD layer. Such a high performance of the TF-ANO flash memory is due to the high-k effect of the Al 2 O 3 layer and the electric field enhancement at the sharp foot edges of the TF.
Glycine betaine grafted nanocellulose as an effective and bio-based cationic nanocellulose flocculant for wastewater treatment and microalgal harvesting (2021)

Flocculation is a widely used technology in industry including for wastewater treatment and microalgae harvesting. To increase the sustainability of wastewater treatment, and to avoid contamination of the harvested microalgal biomass, there is a need for bio-based flocculants to replace synthetic polymer flocculants or metal salt coagulants. We developed the first cellulose nanocrystalline flocculant with a grafted cationic point charge, <i>i.e.</i> glycine betaine (<i>i.e. N</i>,<i>N</i>,<i>N</i>-trimethylglycine) grafted cellulose nanocrystals (CNCs) effective for the flocculation of kaolin (a model system for wastewater treatment), the freshwater microalgae <i>Chlorella vulgaris</i>, and the marine microalgae <i>Nannochloropsis oculata</i>. We successfully grafted glycine betaine onto CNCs using a one-pot reaction using a tosyl chloride activated esterification reaction with a degree of substitution ranging from 0.078 ± 0.003 to 0.152 ± 0.002. The degree of substitution is controlled by the reaction conditions. Flocculation of kaolin (0.5 g L<sup>-1</sup>) required a dose of 2 mg L<sup>-1</sup>, a comparable dose to commercial polyacrylamide-based flocculants. Flocculation was also successful for freshwater as well as marine microalgae (biomass concentration about 300 mg L<sup>-1</sup> dry matter), although the flocculation efficiency of the latter remained below 80%. The dose to induce flocculation (DS = 0.152 ± 0.002) was 20 mg L<sup>-1</sup> for the freshwater <i>Chlorella vulgaris</i> and 46 mg L<sup>-1</sup> for the marine <i>Nannochloropsis oculata</i>, comparable to other bio-based flocculants such as chitosan or TanFloc.
Oral Treatment with BT-11 Ameliorates Inflammatory Bowel Disease by Enhancing Regulatory T Cell Responses in the Gut (2019)

Inflammatory bowel disease (IBD) is an expanding autoimmune disease afflicting millions that remains difficult to treat due to the accumulation of multiple immunological changes. BT-11 is an investigational new drug for IBD that is orally active, gut restricted, and targets the lanthionine synthetase C-like 2 immunometabolic pathway. CD25<sup>+</sup> FOXP3<sup>+</sup> CD4<sup>+</sup> T cells are increased locally within the colon of BT-11-treated mice in <i>Citrobacter rodentium</i> and IL-10<sup>-/-</sup> mouse models of colitis. The maintained efficacy of BT-11 in the absence of IL-10 combined with the loss of efficacy when direct cell-cell interactions are prevented suggest that the regulatory T cell (Treg)-related elements of suppression are cell contact-mediated. When PD-1 is inhibited, both in vitro and in vivo, the efficacy of BT-11 is reduced, validating this assertion. The depletion of CD25<sup>+</sup> cells in vivo abrogated the retention of therapeutic efficacy postdiscontinuation of treatment, indicating that Tregs are implicated in the maintenance of tolerance mediated by BT-11. Furthermore, the involvement of CD25 suggested a role of BT-11 in IL-2 signaling. Cotreatment with BT-11 and IL-2 greatly enhances the differentiation of CD25<sup>+</sup> FOXP3<sup>+</sup> cells from naive CD4<sup>+</sup> T cells relative to either alone. BT-11 enhances phosphorylation of STAT5, providing a direct linkage to the regulation of FOXP3 transcription. Notably, when STAT5 is inhibited, the effects of BT-11 on the differentiation of Tregs are blocked. BT-11 effectively enhances the IL-2/STAT5 signaling axis to induce the differentiation and stability of CD25<sup>+</sup> FOXP3<sup>+</sup> cells in the gastrointestinal mucosa to support immunoregulation and immunological tolerance in IBD.