gebhart/patrepeval huggingface dataset:
Ionic Liquids as Clay Swelling Inhibitors: Adsorption Study (2022)

This study investigates the inhibition performance of ionic liquids (ILs) on clay (montmorillonite) swelling and the possible inhibition mechanism. The adsorption of various types of ILs in swelling clay was studied by adsorption isotherms, X-ray diffraction (XRD), and Fourier transform infrared spectroscopy (FT-IR). Experiments were conducted at different concentrations for different types of ILs. Moreover, the adsorption isotherms were modeled using Langmuir, Freundlich, Sips, Redlich–Peterson, and Fritz–Schlunder models. The type of model fitting was used to evaluate the clay stability in terms of monolayer and multilayer adsorption. The experimental results revealed that the ILs’ adsorption strongly depends on the IL structures and concentrations. The results showed that in aqueous solutions, IL molecules have a strong interaction with swelling clay minerals, causing the intercalation between the interlayer of the clay minerals and ILs. XRD results revealed that the intercalation of ILs between the layers of clay is related to the enlargement in basal (d) spacing. The efficacy of the adsorption process was also demonstrated by the specific bands of the ILs on the infrared spectra. The relative amount of the IL adsorbed on the clay surface was in the order of 1A3MI-CN < 1B1MP-Br < TBP-MS < TEA-TFMS. Error metrics consisting of the coefficient of determination (R2), mean square error (MSE), and mean absolute error (MAE) was employed as a criterion for a better fit of the adsorption model of ILs. Sips and Redlich–Peterson adsorption models show a reasonable fitting for all ILs in this study.
2-Azadienes as Reagents for Preparing Chiral Amines: Synthesis of 1,2-Amino Tertiary Alcohols by Cu-Catalyzed Enantioselective Reductive Couplings with Ketones (2017)

We introduce a new strategy for synthesis of chiral amines: couplings of α-aminoalkyl nucleophiles generated by enantioselective migratory insertion of 2-azadienes to a Cu-H. In this report, we demonstrate its application in catalytic reductive coupling of 2-azadienes and ketones to furnish 1,2-amino tertiary alcohols with vicinal stereogenic centers.
Titelbild: Komplexe von N‐heterocyclischen Carbenen mit Boranen: Synthese und Reaktionen (Angew. Chem. 44/2011) (2011)

Der Saguaro-Kaktus steht bildlich für die Carben-Boran-Chemie: Erst ein Spross auf kargem Grund, dann Jahrzehnte langsamen Wachstums – bis 2008 schließlich der Regen kam und alle Zweige, respektive Teilgebiete, zur Blüte brachte. In ihrem Aufsatz auf S. 10 476 ff. diskutieren D. P. Curran, E. Lacôte et al. die Synthese, Anwendung und Charakterisierung von Komplexen N-heterocyclischer Carbene mit Boranen. Carbene stabilisieren ungewöhnliche Borspezies, und Carben-Borane sind Reagentien für die organische Synthese und Coinitiatoren für radikalische Photopolymerisationen. (Titelbildgestaltung: Dr. Julien Monot und Andrey Solovyev.)
Microfluidic technologies for the integration of liquid chromatography (2013)

The microfabrication technique of Multilayer Soft Lithography (MSL) has emerged as the dominant platform for the development of microfluidic devices in biomedical research. However, Multilayer Soft Lithography, as originally developed, has technological limitations that restrict its effectiveness and versatility in implementing laboratory operations on chip. This thesis solves two of these limitations, namely that channel routing is restricted to planar geometries and that no established methods exist for creating solid-phase columns needed to perform on-chip analytical and preparative separations. The first technological advancement is the development of a new fabrication method using laser ablation that enables the automated fabrication of interlayer connections in MSL-based microfluidic devices. Real-time image recognition and computer control allow for robust wafer-scale registration of laser ablation features with moulded channel structures. This new functionality removes the constraint that all connected device features lie in a single plane, significantly enhancing achievable feature density and fluid handling complexity. To further extend the range of accessible bioanalytical applications using MSL-based devices, this thesis also presents the development of a novel microfluidic column geometry that allows rapid packing of multiple microcolumns in parallel with near-perfect yield. These microcolumns are shown to be of high quality, with plate heights comparable to conventional high-performance capillary columns and superior to what has previously been reported for packed microfluidic columns. Finally, this thesis shows how these new capabilities allow for the implementation of the first fully integrated microfluidic liquid chromatography system that exploits advantages of automation, small sample volume and parallel processing. All elements required for automated sample loading, programmable gradient generation, separation, fluorescent detection, and sample recovery are integrated on a single device. The ability to reliably fabricate three-dimensional microfluidic devices and to integrate highly optimized solid-phase columns will open many new opportunities for on-chip integration, bringing the ultimate goal of complete lab-on-a-chip integration closer to reality.
X-Linked Lissencephaly With Absent Corpus Callosum and Abnormal Genitalia (2017)

X-linked lissencephaly with abnormal genitalia is a rare and devastating syndrome. The authors present an infant with a multisystem phenotype where the intestinal manifestations were as life limiting as the central nervous system features. Severe chronic diarrhea resulted in failure to thrive, dehydration, electrolyte derangements, long-term hospitalization, and prompted transition to palliative care. Other multisystem manifestations included megacolon, colitis, pancreatic insufficiency hypothalamic dysfunction, hypothyroidism, and hypophosphatasia. A novel aristaless-related homeobox gene mutation, c.1136G>T/p.R379L, was identified. This case contributes to the clinical, histological, and molecular understanding of the multisystem nature of this disorder, especially the role of <i>ARX</i> in the development of the enteroendocrine system.
TU-AB-BRA-04: Quantitative Radiomics: Sensitivity of PET Textural Features to Image Acquisition and Reconstruction Parameters Implies the Need for Standards (2015)

Purpose: Despite increased use of heterogeneity metrics for PET imaging, standards for metrics such as textural features have yet to be developed. We evaluated the quantitative variability caused by image acquisition and reconstruction parameters on PET textural features. Methods: PET images of the NEMA IQ phantom were simulated with realistic image acquisition noise. 35 features based on intensity histograms (IH), co-occurrence matrices (COM), neighborhood-difference matrices (NDM), and zone-size matrices (ZSM) were evaluated within lesions (13, 17, 22, 28, 33 mm diameter). Variability in metrics across 50 independent images was evaluated as percent difference from mean for three phantom girths (850, 1030, 1200 mm) and two OSEM reconstructions (2 iterations, 28 subsets, 5 mm FWHM filtration vs 6 iterations, 28 subsets, 8.6 mm FWHM filtration). Also, patient sample size to detect a clinical effect of 30% with Bonferroni-corrected α=0.001 and 95% power was estimated. Results: As a class, NDM features demonstrated greatest sensitivity in means (5–50% difference for medium girth and reconstruction comparisons and 10–100% for large girth comparisons). Some IH features (standard deviation, energy, entropy) had variability below 10% for all sensitivity studies, while others (kurtosis, skewness) had variability above 30%. COM and ZSM features had complex sensitivities; correlation, energy, entropy (COM) and zone percentage, short-zone emphasis, zone-size non-uniformity (ZSM) had variability less than 5% while other metrics had differences up to 30%. Trends were similar for sample size estimation; for example, coarseness, contrast, and strength required 12, 38, and 52 patients to detect a 30% effect for the small girth case but 38, 88, and 128 patients in the large girth case. Conclusion: The sensitivity of PET textural features to image acquisition and reconstruction parameters is large and feature-dependent. Standards are needed to ensure that prospective trials which incorporate textural features are properly designed to detect clinical endpoints. Supported by NIH grants R01 CA169072, U01 CA148131, NCI Contract (SAIC-Frederick) 24XS036-004, and a research contract from GE Healthcare.
N+ Irradiation and Substrate-Induced Variability in the Metamagnetic Phase Transition of FeRh Films (2021)

Metamagnetic FeRh has been the focus of numerous studies for its highly unique antiferromagnetic (AF) to ferromagnetic (FM) metamagnetic transition. While this phase transition usually occurs above room temperature (often Tc &gt; 400 K), both ion irradiation and strained epitaxial growth have been used to bring it to applicable temperatures. Nevertheless, cross sample variability is pervasive in these studies. Here we explore the optical and magnetic properties of 35 nm thick FeRh grown by magnetron sputter deposition simultaneously on two different single crystal substrates: epitaxially on MgO (001) and highly strained with large lattice mismatch on Al2O3 (1000). We then irradiate the epitaxial film with 5 keV N+ ions to introduce disorder (and to a lesser extent, modify chemical composition) without effecting the surface morphology. We find that the phase-transitional properties of both films are strikingly different due to the large lattice mismatch, despite being grown in tandem with nominally identical growth conditions including Fe/Rh stoichiometry, pressure, and temperature. We observe that N+ implantation lowers Tc by ~60 K, yielding a sample with nominally the same transition temperature as the non-epitaxial film on sapphire, yet with a significantly increased magnetic moment, a larger magnetization change and a more abrupt transition profile. We attribute these differences to the Volmer-Weber type growth mode induced by the sapphire substrate and the resulting rougher surface morphology.
Conditional ablation of the RFX4 isoform 1 transcription factor: Allele dosage effects on brain phenotype (2018)

Regulatory factor X4 (RFX4) isoform 1 is a recently discovered isoform of the winged helix transcription factor RFX4, which can bind to X-box consensus sequences that are enriched in the promoters of cilia-related genes. Early insertional mutagenesis studies in mice first identified this isoform, and demonstrated that it was crucial for mouse brain development. RFX4 isoform 1 is the only RFX4 isoform significantly expressed in the mouse fetal and adult brain. In this study, we evaluated conditional knock-out (KO) mice in which one or two floxed alleles of Rfx4 were deleted early in development through the use of a Sox2-Cre transgene. Heterozygous deletion of Rfx4 resulted in severe, non-communicating congenital hydrocephalus associated with hypoplasia of the subcommissural organ. Homozygous deletion of Rfx4 resulted in formation of a single ventricle in the forebrain, and severe dorsoventral patterning defects in the telencephalon and midbrain at embryonic day 12.5, a collection of phenotypes that resembled human holoprosencephaly. No anatomical abnormalities were noted outside the brain in either case. At the molecular level, transcripts encoded by the cilia-related gene Foxj1 were significantly decreased, and Foxj1 was identified as a direct gene target of RFX4 isoform 1. The phenotypes were similar to those observed in the previous Rfx4 insertional mutagenesis studies. Thus, we provide a novel conditional KO animal model in which to investigate the downstream genes directly and/or indirectly regulated by RFX4 isoform 1. This model could provide new insights into the pathogenesis of obstructive hydrocephalus and holoprosencephaly in humans, both relatively common and disabling birth defects.
Reversible coordination and facilitated transport of molecular nitrogen in poly((vinylcyclopentadienyl)manganese) membrane (1989)

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTReversible coordination and facilitated transport of molecular nitrogen in poly((vinylcyclopentadienyl)manganese) membraneHiroyuki Nishide, Hiroyoshi Kawakami, Yoshimi Kurimura, and Eishun TsuchidaCite this: J. Am. Chem. Soc. 1989, 111, 18, 7175–7179Publication Date (Print):August 1, 1989Publication History Published online1 May 2002Published inissue 1 August 1989https://pubs.acs.org/doi/10.1021/ja00200a041https://doi.org/10.1021/ja00200a041research-articleACS PublicationsRequest reuse permissionsArticle Views192Altmetric-Citations92LEARN ABOUT THESE METRICSArticle Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to reflect usage leading up to the last few days.Citations are the number of other articles citing this article, calculated by Crossref and updated daily. Find more information about Crossref citation counts.The Altmetric Attention Score is a quantitative measure of the attention that a research article has received online. Clicking on the donut icon will load a page at altmetric.com with additional details about the score and the social media presence for the given article. Find more information on the Altmetric Attention Score and how the score is calculated. Share Add toView InAdd Full Text with ReferenceAdd Description ExportRISCitationCitation and abstractCitation and referencesMore Options Share onFacebookTwitterWechatLinked InRedditEmail Other access optionsGet e-Alertsclose Get e-Alerts
Spectroscopy and Laser Properties of Nd3+-Doped CaF2, SrF2, and BaF2 (1991)

The optical properties of Nd3+ in CaF2, SrF2, and BaF2 have been investigated in order to determine if these materials are useful as laser-pumped amplifier media. The CaF2:Nd crystal was found to not be useful because the impurities tend to cluster at very low concentration, leading to the formation of nonluminescent centers. On the other hand, the Nd3+ centers in BaF2 exhibit unacceptably low transition strengths. SrF2:Nd appears to have adequate absorption strength, and, in addition, to have a remarkably long emission lifetime of 1280 μs. A maximum doping of 0.20 atomic % Nd3+ can be tolerated in SrF2 without the occurrence of detrimental clustering. The peak emission cross section of SrF2:Nd is 1.7 × 10−20 cm2 at 1036.5 nm. Direct measurement of the gain spectrum of SrF2:Nd3+ reveals the presence of the 4F3/2 → 2G9/2 excited state absorption lines, although the impact on the emission cross section is minor.
Human P2Y 1 Receptor: Molecular Modeling and Site-Directed Mutagenesis as Tools To Identify Agonist and Antagonist Recognition Sites (2020)

The molecular basis for recognition by human P2Y1 receptors of the novel, competitive antagonist 2′-deoxy-N6-methyladenosine 3′,5′-bisphosphate (MRS 2179) was probed using site-directed mutagenesis and molecular modeling. The potency of this antagonist was measured in mutant receptors in which key residues in the transmembrane helical domains (TMs) 3, 5, 6, and 7 were replaced by Ala or other amino acids. The capacity of MRS 2179 to block stimulation of phospholipase C promoted by 2-methylthioadenosine 5′-diphosphate (2-MeSADP) was lost in P2Y1 receptors having F226A, K280A, or Q307A mutations, indicating that these residues are critical for the binding of the antagonist molecule. Mutation of the residues His132, Thr222, and Tyr136 had an intermediate effect on the capacity of MRS 2179 to block the P2Y1 receptor. These positions therefore appear to have a modulatory role in recognition of this antagonist. F131A, H277A, T221A, R310K, or S317A mutant receptors exhibited an apparent affinity for MRS 2179 that was similar to that observed with the wild-type receptor. Thus, Phe131, Thr221, His277, and Ser317 are not essential for antagonist recognition. A computer-generated model of the human P2Y1 receptor was built and analyzed to help interpret these results. The model was derived through primary sequence comparison, secondary structure prediction, and three-dimensional homology building, using rhodopsin as a template, and was consistent with data obtained from mutagenesis studies. We have introduced a “cross-docking” procedure to obtain energetically refined 3D structures of the ligand–receptor complexes. Cross-docking simulates the reorganization of the native receptor structure induced by a ligand. A putative nucleotide binding site was localized and used to predict which residues are likely to be in proximity to agonists and antagonists. According to our model TM6 and TM7 are close to the adenine ring, TM3 and TM6 are close to the ribose moiety, and TM3, TM6, and TM7 are near the triphosphate chain.
VALIDATION OF TRUENESS AND PRECISION OF AN ENHANCED MICROSOFT HOLOLENS® AUGMENTED REALITY SYSTEM FOR MEASURING ACETABULAR CUP IMPLANT ORIENTATION IN A HIP ARTHROPLASTY SIMULATOR (2018)

Background Trust in the validity of a measurement tool is critical to its function in both clinical and educational settings. Acetabular cup malposition within total hip arthroplasty (THA) can lead...
Thromboembolic Complications of Prosthetic Cardiac Valves (1968)

Our experience with thromboembolism in 283 patients surviving at least 1 week following insertion of Starr-Edwards valves is reported here. Of these patients, 155 underwent aortic valve replacement, 21 had aortic valve replacement with mitral commissurotomy, 80 had mitral replacement, and 27 had both aortic and mitral valve replacement. Complete follow-up data were obtained on all patients, from 3 to 49 months following surgery (mean, 20 months). Thromboembolic episodes developed in 68 of the 283 patients (24%). Seventeen of these 68 patients died (25%), three had serious neurological residual (4%), but the majority of survivors recovered completely. Use of long-term anticoagulant therapy appeared to reduce incidence of embolic episodes only in patients with aortic valve replacement. Control of anticoagulant therapy (good, fair, or poor) bore no relationship to incidence of embolism within this group. Anticoagulant therapy in untreated patients with emboli reduced the incidence of subsequent thromboembolism. Hemorrhagic complications occurred in 23 patients (8%); one died. Thromboembolism is a serious complication of prosthetic valves. Its incidence in some patients is reduced but not eliminated by anticoagulant therapy.
Variation-tolerant dense TFET memory with low V<sub>MIN</sub> matching low-voltage TFET logic (2015)

The tunneling FET (TFET) is a leading option for energy efficient computation with peak logic performance/watt greater than CMOS. With variation effects, TFET reaches 2X higher peak efficiency than MOSFET by using supply voltages under 0.4V. Dense TFET SRAM bitcell is proposed with VMIN matching this low logic V <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">DD</sub> . Projections of device variation enable a comparison of TFET and MOSFET logic and memory and show greater robustness for TFET circuits. TFET bitcell write-time tracks logic frequency at low voltage. TFET bitcell retention margins are 0.1 V greater than that of the MOSFET. Bitcell performance and V <sub xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">MIN</sub> are improved by using TFET's unique asymmetric conduction to reduce write-contention and read-disturb conditions. A novel 7T bitcell with compact layout is proposed for improved low-voltage write.
Highly-efficient GRIN Lens Optimization Through Differential Ray Tracing (2020)

A new differential ray tracing (DRT) formulation for optical lenses with gradient-index (GRIN) properties is presented. The metric function gradient required during lens optimization is obtained by DRT, which requires very few function evaluations when compared to the finite difference (FD) approach. Numerical results validating the accuracy of the proposed method are presented.
Transforming growth factor–β and Notch ligands act as opposing environmental cues in regulating the plasticity of type 3 innate lymphoid cells (2016)

Group 3 innate lymphoid cells (ILC3s) are composed of subsets that are either positive or negative for the natural cytotoxicity receptor (NCR) NKp46 (encoded by Ncr1). ILC3s are located at mucosal sites, such as in the intestine and lung, where they are exposed to billions of commensal microbes and potentially harmful pathogens. Together with T cells, the various ILC3 subsets maintain the balance between homeostasis and immune activation. Through genetic mapping, we identified a previously uncharacterized subset of NCR(-) ILC3s in mice that transiently express Ncr1, demonstrating previously undescribed heterogeneity within the ILC3 population. In addition, we showed that sustained Notch signaling was required for the maintenance of the NCR(+) phenotype and that the cytokine transforming growth factor-β (TGF-β) impaired the development of NCR(+) ILC3s. Thus, the plasticity of ILC3s is regulated by the balance between the opposing effects of Notch and TGF-β signaling, maintaining homeostasis in the face of continual challenges.
New indolium and quinolinium dyes sensitive to aqueous halide ions at physiological concentrations (1999)

Abstract Twelve new highly fluorescent dyes have been produced by the reaction of two heterocyclic nitrogen bases with 8‐bromooctanoic acid, 11‐bromoundecanoic acid and 15‐bromopentadecanoic acid. The bromide counter ions of the first six dyes have been replaced with the tetraphenylborate ion. Unlike the bases themselves, the quaternary salts are water soluble and have fluorescence characteristics independent of p H in the p H range 7–11. Both the fluorescence intensity and fluorescence lifetime of dyes 1–12 are reduced in the presence of aqueous halide ions allowing halide concentrations to be determined accurately at physiological levels. All the dyes have been characterised in terms of steady state fluorescence spectra and steady‐state Stern‐Volmer analysis.
ResilientVM (2015)

In this paper, we present a scalable parallel virtual machine planning and failover method for high availability at a virtual machine (VM) level in a data center. The solution is implemented in IBM's Cloud Managed Services (CMS) enterprise cloud offering for rapid failover in large data centers with a large number of servers, VMs, and disks. The failover system enables failover-time planning and execution and keeps the recovery time within limits of service level agreement (SLA) allowed time budget. The initial serial failover time is reduced by a factor of up to 11 for parallel implementation, and by a factor of up to 44 for parallel failover - parallel storage mapping implementation.
Channel Prediction for B4G Radio Systems (2013)

Future cellular mobile radio systems - sometimes called beyond 4G (B4G) - will have to provide by factors higher network performance. Promising concepts like interference mitigation based on joint cooperative multipoint transmission (JT CoMP), multiple input multiple output (MIMO) or - more recently - massive MIMO depend on accurate and reliable channel state information. With so called model based channel prediction (MBCP) we proposed a powerful but challenging means, in theory promising to outperform state of the art Wiener or Kalman filtering. Here we analyze some important aspects of MBCP and suggest suitable enhancements for channel and parameter estimation of multi path components. Based on ray tracing tools and measurements the high potential of enlarged measurement bandwidth or virtual beamforming are being assessed. More work will be needed to understand the full potential and limitations of MBCP, being currently conducted in the EU funded project METIS.