gebhart/patrepeval huggingface dataset:
Computational Study of Bond Dissociation Enthalpies for a Large Range of Native and Modified Lignins (2011)

Lignin is a major component of plant cell walls that is typically underutilized in selective conversion strategies for renewable fuels and chemicals. The mechanisms by which thermal and catalytic treatments deconstruct lignin remain elusive, which is where quantum mechanical calculations can offer fundamental insights. Here, we compute homolytic bond dissociation enthalpies (BDEs) for four prevalent linkages in 69 lignin model compounds, including β-O-4, α-O-4, β-5, and biphenyl bonds, with a large range of natural and oxidized substituents. These calculations include ab initio benchmark values extrapolated to the complete basis set limit and full conformational searches for each compound. The results quantify both the relative BDEs among common lignin bonds and the effect of native and oxidized substituents on the functional groups in lignin. These data yield insights into thermal lignin deconstruction for a large range of prevalent linkages and aid in the identification of targets for catalytic cleavage.
High Gain Antipodal Fermi Antenna with Low Cross Polarization (2011)

Antipodal Fermi antenna (APFA) that uses an antipodal feeding section is proposed and its fundamental characteristics are presented. It is shown that the cross polarization level is decreased by 5-10dB by the presence of the corrugation. It is also found that high gain, low VSWR and low side lobes and low back lobes are obtained. The mechanism of operation principles is discussed by using FDTD analysis. It is found that the corrugation transforms the current of parallel line mode to the current of traveling wave radiation mode and the effective aperture is enlarged which yields high gain characteristics.
Studies on the Constituents of the Useful Plants. VIII. The Constituents of Lespedeza cuneata G. DON. (1) (1978)

Nine compounds were isolated from the leaves of Lespedeza cuneata G. DON (Leguminosae). β-Sitosterol, succinic acid, triacontan-1-ol, quercetin, kaempferol, pinitol, avicuralin, juglanin and trifolin were identified by comparison with the respective authentic samples. Additionally, assignment of the three flavonol-glycosides was confirmed by measurement of their 13C-NMR spectra.
Design of Intra-body Nano-communication Network for Future Nano-medicine (2018)

Intra-body communication is a method that utilizes the human body as a broadcast biological medium for electromagnetic signals to inter-connect wireless body sensors. Study of the collaboration between electromagnetic waves and human cells has gained importance in recent years leading towards developing and establishing new novel concept which is the idea of nano-communications using nano-networks to form in-vivo communication that are aimed to offer wireless communication between interior nano-sensors. The emergent of this advanced unprecedented prospective approach of deploying the in vivo communication concept in the health sector is considered as a key potential technology that enhances healthcare delivery and enables the progress of future applications and services.
Chromatographic separation of molasses components (2000)

La separation chromatographique est utilisee pour separer des constituants interessants des melasses de betteraves. Des substances typiques produites actuellement a l'echelle industrielle, outre le sucre, sont la betaine, l'inositol, des melanges d'acides amines et des acides amines individuels. La recuperation d'autres constituants peut ameliorer sensiblement la rentabilite de la recuperation du saccharose, mais le saccharose reste le produit le plus important qui controle toute l'economie du procede. La separation chromatographique peut egalement etre appliquee au traitement des jus intermediaires en sucrerie de betteraves. La separation des egouts pauvres ou egouts de deuxieme jet est deja utilisee industriellement. On a egalement suggere l'application de la separation au jus dense. La mise en oeuvre de l'etape chromatographique dans la fabrication du sucre de betteraves a des effets determinants dans la recuperation du saccharose et tout specialement dans la recuperation des autres constituants. La resolution des pics se modifie suivant le changement de composition du produit traite. Ces effets sont discutes en meme temps que les implications economiques. On souligne les facteurs intervenant dans une realisation optimale et la mise en place d'un separateur chromatographique.
Glenoid Exposure in Shoulder Arthroplasty (2010)

Glenoid exposure is a critical step in total shoulder arthroplasty. Earlier surgery, contractures, and asymmetric wear are just a few of the things that need to be recognized and planned for preoperative evaluation. Good exposure begins with meticulous positioning and hinges on carrying out adequate releases and bony cuts. The purpose of this review is to describe the various steps and techniques necessary to achieve good glenoid exposure during total shoulder arthroplasty.
The downregulation of IL-18R defines bona fide kidney-resident CD8+ T cells (2021)

Stepwise induction of CD69 and CD103 marks distinct differentiation stages of mucosal Trms. But the majority of non-mucosal Trm lacks CD103 expression. The expression of CD69 alone cannot faithfully define Trm cells in heavily vascularized non-mucosal tissues, such as the kidney. Here, we found that a subset of kidney Trms downregulated IL-18 receptor during differentiation. Via global transcriptional analysis and parabiosis experiments, we have discovered that the downregulation of interleukin-18 receptor (IL-18R) is associated with the establishment of tissue residency. Together with the expression of CD69, IL-18R<sup>lo</sup> exclusively identify tissue-resident cells whereas IL-18R<sup>hi</sup> population contains both tissue-resident and migratory ones. Local cytokines including transforming growth factor β (TGF-β) and interferon α (IFN-α)/β as well as TGF-β-dependent suppression of transcription factor Tcf-1 are essential for IL-18R downregulation during kidney Trm differentiation. Together, we identified a convenient surface marker to distinguish bona fide kidney-resident CD8<sup>+</sup> T cells as well as underlying molecular mechanisms controlling this differentiation process.
Surface diffusion of n-alkanes on Ru(001) (1990)

The surface diffusion of n-alkanes on Ru(001) was measured using laser-induced thermal desorption (LITD) techniques. The surface diffusion coefficients for propane, n-butane, n-pentane, and n-hexane all displayed Arrhenius behavior. The surface diffusion activation energies increased linearly with carbon chain length from Edif =3.0±0.1 kcal/mol for propane to Edif =4.8±0.2 kcal/mol for n-hexane. In contrast, the surface diffusion preexponentials remained nearly constant at D0 ≂0.15 cm2 /s. Measurements performed at different coverages also revealed that the surface diffusion coefficients were coverage-independent for all the n-alkanes on Ru(001). The surface corrugation ratio Ω was defined as the ratio of the diffusion activation energy to the desorption activation energy, Ω=Edif /Edes . The surface corrugation ratio was observed to be remarkably constant at Ω≂0.3 for all the n-alkanes. This constant corrugation ratio indicated a linear scaling between the diffusion activation energy and the desorption activation energy. This behavior also suggested that the n-alkanes move with a rigid configuration parallel to the Ru(001) surface.
Application of MQW devices to Boolean logic operations (1991)

We present a method for implementing Boolean logic operations using MQW optical devices and a spatial pattern coding. Serially connected MQW devices such as an S-SEED have some advantages: high speed switching capability, a tolerance to fluctuation of power sources, and logic operation capability. Therefore, if cascadability of logic can be maintained with these devices, we can build high speed optical logic circuits. In this study, we adopted a spatial pattern coding method, which represents logical values (1 or 0) as combinations of bright and dark cells, on both input and output sides as a logic representation to keep cascadability. We show that these devices can work as NOT, NAND, or NOR logic elements. In addition, we investigate a code converter that converts a logic representation in intensity to a spatial pattern coding.
Dynamic optical mesh networks: Drivers, challenges and solutions for the future (2009)

We discuss the scalability challenges facing the optical networks. Using the architecture based on spectrum-sliced elastic optical path network (SLICE), we demonstrate how the networking functionality can be effectively shifted to the optical domain.
Max-Margin Nonparametric Latent Feature Models for Link Prediction (2016)

Link prediction is a fundamental task in statistical network analysis. Recent advances have been made on learning flexible nonparametric Bayesian latent feature models for link prediction. In this paper, we present a max-margin learning method for such nonparametric latent feature relational models. Our approach attempts to unite the ideas of max-margin learning and Bayesian nonparametrics to discover discriminative latent features for link prediction. It inherits the advances of nonparametric Bayesian methods to infer the unknown latent social dimension, while for discriminative link prediction, it adopts the max-margin learning principle by minimizing a hinge-loss using the linear expectation operator, without dealing with a highly nonlinear link likelihood function. For posterior inference, we develop an efficient stochastic variational inference algorithm under a truncated mean-field assumption. Our methods can scale up to large-scale real networks with millions of entities and tens of millions of positive links. We also provide a full Bayesian formulation, which can avoid tuning regularization hyper-parameters. Experimental results on a diverse range of real datasets demonstrate the benefits inherited from max-margin learning and Bayesian nonparametric inference.
Data from DS-7300a, a DNA Topoisomerase I Inhibitor, DXd-Based Antibody–Drug Conjugate Targeting B7-H3, Exerts Potent Antitumor Activities in Preclinical Models (2023)

&lt;div&gt;Abstract&lt;p&gt;B7-H3 is overexpressed in various solid tumors and has been considered as an attractive target for cancer therapy. Here, we report the development of DS-7300a, a novel B7-H3–targeting antibody–drug conjugate with a potent DNA topoisomerase I inhibitor, and its &lt;i&gt;in vitro&lt;/i&gt; profile, pharmacokinetic profiles, safety profiles, and &lt;i&gt;in vivo&lt;/i&gt; antitumor activities in nonclinical species.&lt;/p&gt;&lt;p&gt;The target specificity and species cross-reactivity of DS-7300a were assessed. Its pharmacologic activities were evaluated in several human cancer cell lines &lt;i&gt;in vitro&lt;/i&gt; and xenograft mouse models, including patient-derived xenograft (PDX) mouse models &lt;i&gt;in vivo&lt;/i&gt;. Pharmacokinetics was investigated in cynomolgus monkeys. Safety profiles in rats and cynomolgus monkeys were also assessed.&lt;/p&gt;&lt;p&gt;DS-7300a specifically bound to B7-H3 and inhibited the growth of B7-H3–expressing cancer cells, but not that of B7-H3–negative cancer cells, &lt;i&gt;in vitro&lt;/i&gt;. Additionally, treatment with DS-7300a and DXd induced phosphorylated checkpoint kinase 1, a DNA damage marker, and cleaved PARP, an apoptosis marker, in cancer cells. Moreover, DS-7300a demonstrated potent &lt;i&gt;in vivo&lt;/i&gt; antitumor activities in high–B7-H3 tumor xenograft models, including various tumor types of high–B7-H3 PDX models. Furthermore, DS-7300a was stable in circulation with acceptable pharmacokinetic profiles in monkeys, and well tolerated in rats and monkeys.&lt;/p&gt;&lt;p&gt;DS-7300a exerted potent antitumor activities against B7-H3–expressing tumors in &lt;i&gt;in vitro&lt;/i&gt; and &lt;i&gt;in vivo&lt;/i&gt; models, including PDX mouse models, and showed acceptable pharmacokinetic and safety profiles in nonclinical species. Therefore, DS-7300a may be effective in treating patients with B7-H3–expressing solid tumors in a clinical setting.&lt;/p&gt;&lt;/div&gt;
Control of Dislocations and Stress in AlGaN on Sapphire Using a Low Temperature Interlayer (1999)

In organometallic vapor phase epitaxial growth of AlGaN on sapphire, the role of the low-temperature-deposited interlayers on a high-temperature-grown GaN layer was investigated by in-situ stress measurement, X-ray diffraction, and transmission electron microscopy. Crack-free and low-dislocation-density AlGaN with the whole compositional range has been realized on the sapphire substrate.
Patterned Polyfluorene Surfaces by Functionalization of Nanoimprinted Polymeric Features (2006)

A new procedure is described for surface grafting polymer brushes by step-growth polymerization from initiator-embedded polymeric thin films and micron- and nanometer-scale patterns. An imprint lithographic process, nanocontact molding, was used to prepare thin patterned cross-linked polyacrylate network films on silicon wafers that incorporated 4-bromostyrene in the networks. These networks present reactive 4-bromophenyl functionality at the surface that act as attachment sites for the subsequent Ni(0)- mediated step-growth condensation polymerization of 2,7-dibromo-9,9-dihexylfluorene The step-growth polymerization medium consisted of 2,7-dibromo-9,9-dihexylfluorene, Ni(0)-catalyst, and bipyridine in a toluene/dimethylformamide solvent mixture. The resulting growth of polydihexylfluorene brushes from the patterned surface was monitored by contact angle, optical spectrometry, surface profilometry and AFM. Brush growth was conducted from patterned features ranging from 100 microm to 100 nm in width and 50 nm in height. The optical and fluorescence behavior of the polyfluorene brushes was similar to that of thin polyfluorene films made by spin coating.
DNA-Binding Site for Two Skeletal Actin Promoter Factors Is Important for Expression in Muscle Cells (1988)

Two nuclear factors bind to the same site in the chicken skeletal actin promoter. Mutations in the footprint sequence which eliminate detectable binding decrease expression in transfected skeletal muscle cells by a factor of 25 to 50 and do not elevate the low expression in nonmuscle cells. These results show that the factor-binding site contributes to the activation of expression in muscle cells and that it alone does not contribute significantly to repress expression in nonmuscle cells.
Poly(ethylene glycol) cross‐linked hemoglobin with antioxidant enzymes protects pancreatic islets from hypoxic and free radical stress and extends islet functionality (2012)

The objective of this study was to investigate the efficiency of multifunctional poly(ethylene glycol)-based hemoglobin conjugates crosslinked with antioxidant enzymes for their ability to protect an oxygen carrier (hemoglobin) and insulin secreting islets from the combination of hypoxic and free radical stress under simulated transplantation conditions. In this study, RINm5F cells and isolated pancreatic islets were challenged with oxidants (H(2)O(2) or xanthine and xanthine oxidase) and incubated with conjugates (hemoglobin-hemoglobin or superoxide dismutase-catalase-hemoglobin) in normoxia (21% oxygen) or hypoxia (6% or 1% oxygen). Hemoglobin protection, intracellular free radical activity and cell viability in RINm5F cells measured by methemoglobin, dichlorofluorescein-diacetate, and (3-(4,5-dimethylthiazol-2-yl)-2,5-diphenyl tetrazolium bromide) assay, respectively, showed that cells were better protected by conjugates containing antioxidant enzymes. Insulin secretion from islets and qualitative confocal evaluation of viability showed beta cells were protected by conjugates containing antioxidant enzymes when exposed to induced stress. Our study suggested that antioxidant enzymes play a significant role in hemoglobin protection and thus extended cell protection.
In vitro model for resistance in oncogene-dependent tumors at the limit of radiological detectability (2019)

In solid tumors, the response to targeted therapy is typically short-lived, as therapy-resistant mutants can quickly expand during therapy. Here we analyze the spectrum of such resistance mutations coexisting in a large population of cancer cells. We use an iterative scheme of artificial evolution to amplify and isolate different resistance mechanisms. As a proof of concept, we apply our scheme to PC-9 cells, a human non-small cell lung cancer cell line with an activating EGFR mutation. The mechanisms we find comprise the well-known gatekeeper-mutation T790M in EGFR, a mutation in NRAS, the amplification of MET-ligand HGF , as well as induction of AKT-mTOR signaling. In this model, a combination of four drugs targeting these mechanisms prevents not only the expansion of resistant cells, but also inhibits the growth of drug-tolerant cells, which can otherwise act as a reservoir for further resistance mutations. These data suggest that a finite number of drugs specifically acting on individual resistant clones may be able to control resistance in oncogenically driven lung cancer.
Plasma lipoprotein subfraction concentrations are associated with lipid metabolism and age-related macular degeneration (2017)

Disturbance in lipid metabolism has been suggested as a major pathogenic factor for age-related macular degeneration (AMD). Conventional lipid measures have been inconsistently associated with AMD. Other factors that can alter lipid metabolism include lipoprotein phenotype and genetic mutations. We performed a case-control study to examine the association between lipoprotein profile and neovascular AMD (nAMD) and whether the cholesterylester transfer protein (<i>CETP</i>) D442G mutation modulates these associations. Patients with nAMD had significantly higher concentrations of HDL and IDL compared with controls. The increase in HDL particles in nAMD patients was driven by an excess of medium-sized particles. Concurrently, patients with nAMD also had lower Apo A-1, lower VLDL and chylomicron lipoprotein. Many of these associations showed a dose-dependent association between controls, early AMD cases, and nAMD cases. Adjustment for the presence of the D442G mutation at the <i>CETP</i> locus did not significantly alter the increased AMD risk associated with HDL particle concentration. AMD is associated with variation in many lipoprotein subclasses, including increased HDL and IDL particles and decreased Apo A-1, VLDL, and chylomicron particles. These data suggest widespread systemic disturbance in lipid metabolism in the pathogenesis of AMD, including possible alterations in lipoprotein carrier capacity.
In situ profiling of lithium/Ag2VP2O8primary batteries using energy dispersive X-ray diffraction (2014)

In situ, in operando characterization of electrochemical cells can provide insight into the complex discharge chemistries of batteries which may not be available with destructive methods. In this study, in situ energy-dispersive X-ray spectroscopy (EDXRD) measurements are conducted for the first time on active lithium/silver vanadium diphosphate, Li/Ag2VP2O8, electrochemical cells at several depths of discharge allowing depth profiling analysis of the reduction process. This technique enables non-destructive, in operando imaging of the reduction process within a battery electrode over a millimeter scale interrogation area with micron scale resolution. The discharge of Ag2VP2O8 progresses via a reduction displacement reaction forming conductive silver metal as a discharge product, a high Z material which can be readily detected by diffraction-based methods. The high energy X-ray capabilities of NSLS beamline X17B1 allowed spatially resolved detection of the reduction products forming conductive pathways providing insight into the discharge mechanism of Ag2VP2O8.
Laparoscopic Adrenalectomy for Primary Hyperaldosteronism during Pregnancy (2000)

Laparoscopic adrenalectomy was performed early in the second trimester of pregnancy in a woman with an aldosteronoma causing hypertension (254/154 mm Hg). The patient was later delivered of a healthy baby. With suitable precautions and timing, major laparoscopic surgery can be performed safely during pregnancy.
Templated evaporative lithography for high throughput fabrication of nanopatterned films (2012)

A new method for the fabrication of well-defined nanostructured deposits by evaporation-driven directed self-assembly of nanoparticles is proposed and studied theoretically. The technique comprises a film of suspended nanoparticles drying with its surface in contact with a topographically patterned membrane which promotes spatially varying evaporation, resulting in a patterned deposit. Membrane thickness and topography (in conjunction with the initial film height and concentration) allow the feature and residual layer dimensions to be controlled independently. Numerical solutions of equations governing the dynamics of the process show how the concentration profile evolves as a result of flow driven by heterogeneous evaporation. Analysis yields bounds on the dimensions of the dried deposit, and provides processing parameters to achieve specific patterns. It is estimated that films with 10 nm to 100 μm features can be fabricated with a drying time of 0.1-10 seconds per 10 μm of feature height above the residual layer (depending on membrane thickness), making this a promising method for high throughput pattern deposition.
Investigating protein conformation–based inheritance and disease in yeast (2001)

Our work supports the hypothesis that a protein can serve as an element of genetic inheritance. This protein-only mechanism of inheritance is propagated in much the same way as hypothesized for the transmission of the protein-only infectious agent in the spongiform encephalopathies; hence these protein factors have been called yeast prions. Our work has focused on [PSI(+)], a dominant cytoplasmically inherited factor that alters translational fidelity. This change in translation is produced by a self-perpetuating change in the conformation of the translation-termination factor, Sup35. Most recently, we have determined that new elements of genetic inheritance can be created by deliberate genetic engineering, opening prospects for new methods of manipulating heredity. We have also uncovered evidence that other previously unknown elements of protein-based inheritance are encoded in the yeast genome. Finally, we have begun to use yeast as a model system for studying human protein folding diseases, such as Huntington's disease. Proteins responsible for some of these diseases have properties uncannily similar to those that produce protein-based mechanisms of inheritance.
One-Pot Process for the Preparation of a β-Alkynyl β-Amino Acid Ester (1997)

The large-scale preparation of the β-alkynyl β-amino acid ester (±)-1,1-dimethylethyl 3-amino-5-(trimethylsilyl)-4-pentynoate (A) is discussed. It was discovered that addition of a catalytic amount of lithium bis(trimethylsilyl)amide (LHMDS) to a mixture of tert-butyl acetate and N,3-bis(trimethylsilyl)-2-propyn-1-imine (B) initiated a self-perpetuating reaction and gave high yields of the β-amino ester A upon quench. This one-pot procedure eliminated the need to prepare the unstable lithium tert-butyl acetate in a separate reactor and enabled the reaction to be scaled up and run at a more acceptable process temperature (−20 °C) compared to the analogous two-pot reaction (−45 °C). Addition of 3-(trimethylsilyl)-2-propynal to LHMDS in THF at −20 °C followed by chlorotrimethylsilane formed the imine B in situ. tert-Butyl acetate (6 equiv) was added followed by a substoichiometric quantity (0.15−0.20 equiv) of LHMDS. After quenching with aqueous ammonium chloride the product A was obtained in a yield averaging 70%.