gebhart/patrepeval huggingface dataset:
Bis-morpholine-Substituted Perylene Bisimides: Impact of Isomeric Arrangement on Electrochemical and Spectroelectrochemical Properties (2008)

The synthesis and separation of the 1,6- and 1,7- isomers of N,N'-bis(n-butyl)dimorpholino-3,4:9,10-perylenetetracarboxylic acid bisimide are reported. Investigations of the electrochemical and spectroscopic, in particular, spectroelectrochemical, properties of the two isomers reveal a sequence of electrochemically and chemically reversible redox processes for both isomers. Importantly, the 1,7-isomer of N,N'-bis(n-butyl)dimorpholino-3,4:9,10-perylenetetracarboxylic acid bisimide was observed to undergo a two-electron oxidation process, which contrasts with the behavior of both the corresponding 1,6-isomer and other related amino-substituted perylene bis-imide species.
Supplementary Figures S1-S25 from Late-Stage Metastatic Melanoma Emerges through a Diversity of Evolutionary Pathways (2023)

&lt;p&gt;Supplementary figure 1: Cohort overview. Number of samples sequenced with whole exome, panel or whole RNA sequencing. Supplementary figure 2: Phylogeny and WGD events in CRUKP1047. Supplementary figure 3: Ploidy and SCNA burden. Supplementary figure 4: Overview of each case. Supplementary figure 5: MEDICC2 copy number sample trees. Supplementary figure 6: MEDICC tree of all exome samples demonstrating that samples cluster together by patient, and not by melanoma subtype. Supplementary figure 7: SCNA frequency of cutaneous (a), acral (b) and melanoma of unknown primary (MUP, c). Supplementary figure 8: Correlation between liver copy number distance to other sites and time of emergence after stage IV diagnosis. Supplementary figure 9: Examination of tumour heterogeneity of alterations to antigen-presentation machinery genes,with site and patient annotation. Supplementary figure 10: Boxplots indicating the proportion of losses in the cohort for each segment. Supplementary figure 11: Balance of expression between nonsynonymous mutations that were not predicted to be neoantigens and clonal predicted neoantigens. Supplementary figure 12: Barplot of TIL infiltration score frequencies, determined by pathologist assessment of histology, across all samples. Supplementary figure 13: Number of samples per patient that are classified as either none-low in terms of TILs or moderate-heavy. Supplementary figure 14: Histogram of purity for samples with RNA-seq data. Supplementary figure 15: TME deconvolution. Supplementary figure 16: The effect of metastatic site on transcriptional profiles. Supplementary figure 17: Association of PHF3 copy number with expression. Supplementary figure 18: Overview of gene fusions identified in RNA-seq data. Supplementary figure 19: Comparison of ploidy estimates from panel sequencing data, exome data and FISH. Supplementary figure 20: Comparison of ploidy estimates in panel, exome, FISH and single cell data. Supplementary figure 21: FACs sort plot for CRUKP2567 diaphragmatic metastasis. Supplementary figure 22: Ploidy and wGII values from single cell sequencing of FACS-sorted tumour cells. Supplementary figure 23: Copy number profiles on chromosome 5 for bulk samples from primary and DI_2_R2, a diaphragmatic metastasis. Supplementary figure 24: Histogram of purity of samples for which RNA-seq was performed faceted by patient. Supplementary figure 25: Histogram of purity of samples for which RNA-seq was performed faceted by tissue site.&lt;/p&gt;
Changing approaches to assessment of environmental inhalation risk: a case study. (1995)

Approaches to assessing environmental inhalation risk from asbestos have undergone profound change. In addition to social and political changes, a number of factors have come into play: 1. new technologies 2. new measuring instruments 3. new biological data 4. increased utilization of asbestos 5. regulatory imperatives 6. a redefinition of health risks associated with asbestos. This has occurred over a period of little more than 60 years. Early air-sampling instruments were developed to measure particles and fibers in air. Because asbestosis was a fibrotic disease, all measurements quantitated fibrotic disease risk in the environment by focusing on fibers and particles. Subsequently, the understanding that asbestos forms only fibers in air refocused measurement on fibers, not fibers and particles. As research clarified which fibers reached the lungs, new ways to sample and evaluate air were required. At the same time, changes in understanding of the disease process created the need for a better way to measure risk. In the 1960s, acceptance of the knowledge that asbestos causes both cancer (based on the no threshold assumption for carcinogens) and fibrosis raised the question of which fiber sizes should be measured and what the standard should be. The scientific assumption, prevailing both in 1985-86 and today, of a linear nonthreshold dose-response curve for carcinogens was applied to estimates of risk for asbestos exposure in the workplace, which led OSHA to lower the U.S. standard. In summary, we have attempted to illustrate the close link between state-of-the-art scientific and technical knowledge and policy decisions to control a toxic substance in industrial society. In the best of all possible worlds the science should permit valid estimates of risk and construct measurement techniques that lead to the desired control. If awareness comes early, then the process of policy making should be an iterative one, with incrementally more restrictive control as knowledge of the toxicant improves. The imperative for control of asbestos, as with many other toxic materials, was regulation, not science. That, however, is another story. Regulation of the workplace environment activated use of the science that permits valid estimates of risk and the techniques for measurement and control. The evolving science became part of the debates on control and constantly refocused them. Setting acceptable workplace exposure levels to control inhalation risk from asbestos did not occur on a wide scale until after 1970.(ABSTRACT TRUNCATED AT 400 WORDS)
Doping dependence of the spin excitations in the Fe-based superconductors Fe1+yTe1−xSex (2013)

The Fe${}_{1+y}$Te${}_{1\ensuremath{-}x}$Se${}_{x}$ series of materials is one of the prototype families of Fe-based superconductors. To provide further insight into these materials, we present systematic inelastic neutron scattering measurements of the low-energy spin excitations for $x=0.27$, 0.36, 0.40, and 0.49. These measurements show an evolution of incommensurate spin excitations towards the (1/2,1/2,0) wave vector with doping. Concentrations ($x=0.40$ and 0.49) which exhibit the most robust superconducting properties have spin excitations closest to (1/2,1/2,0) and also exhibit a strong spin resonance in the spin excitation spectrum below ${T}_{c}$. The resonance signal appears to be closer to (1/2,1/2,0) than the underlying spin excitations. We discuss the possible relationship between superconductivity and spin excitations at the (1/2,1/2,0) wave vector and the role that interstitial Fe may play.
ChemInform Abstract: Regioselective Addition of Copper‐Zinc Aryl Organometallic Reagents to 3‐Substituted Pyridinium Salts. (1992)

Abstract ChemInform is a weekly Abstracting Service, delivering concise information at a glance that was extracted from about 100 leading journals. To access a ChemInform Abstract of an article which was published elsewhere, please select a “Full Text” option. The original article is trackable via the “References” option.
Control of Boxelder Bug on Kiwi Fruit, 1990 (1991)

Abstract The trial was conducted on 15-yr-old 'Hayward' kiwifruit in a commercial vineyard near Santa Cruz, Calif. Four treatments were replicated 4 times using a randomized complete block design. Each replicate consisted of an individual vine with a minimum of 1 buffer vine between experimental units. Treatments were applied with a CO2-charged backpack sprayer operating at 30 psi and delivering 400 gal/acre. Treatments were applied on 13 Jun. Control was evaluated by caging 20 field-collected adult boxelder bugs on the foliage for 1 d and 7 d beginning on the day of application and at 1-wk intervals for 4 wk.
Steuerungsmöglichkeiten bei der übergangsmetall‐katalysierten Umsetzung von 1,3‐Dienen mit Kohlendioxid (1986)

Abstract Die Umsetzung von Butadien mit Kohlendioxid führt bei Einsatz homogener Palladium‐, Ruthenium‐ und Nickelkomplex‐Katalysatoren in Ausbeuten bis zu 59% zum C 9 ‐Lacton 2‐Ethyliden‐6‐hepten‐5‐olid ( 3 ). Mit Rhodiumkatalysatoren wird die Reaktion umgesteuert, und drei Moleküle Butadien verknüpfen sich mit Kohlendioxid unter Bildung des C 13 ‐Lactons 2‐Ethyl‐2,4,9‐undecatrien‐4‐olid ( 10 ). Dieses C 13 ‐Lacton kann auch rhodiumkatalysiert aus dem C 9 ‐Lacton und Butadien hergestellt werden. – Bei der C 9 ‐Lacton‐Synthese werden die herausragenden Steuerungseigenschaften der Trialkylphosphane mit CHR 2 ‐Substituenten am Phosphor über eine Aktivierung des Kohlendioxids durch den Liganden interpretiert. Eine analoge Aktivierung wird bei Zusatz von Phosphor‐ und Arsen‐Ylidliganden beobachtet. Als mechanistische Zwischenstufen der Butadien/CO 2 ‐Reaktion werden Übergangsmetall‐Allyl‐ und Carboxylat‐Spezies angenommen. Ausgehend vom C 9 ‐Lacton konnte ein Carboxylat‐Komplex, Bis(2‐ethyliden‐4,6‐heptadienoato)bis(triisopropylphosphan)palladium ( 22 ), isoliert und durch Röntgenstrukturanalyse vermessen werden. Dieser Komplex ist gleichzeitig ein guter Einkomponentenkatalysator für die Butadien‐CO 2 ‐Reaktion. – Isopren bzw. Piperylen können gemeinsam mit Butadien und Kohlendioxid zu δ‐Lactonen ( 32, 34, 36 ), verknüpft werden. Die Insertion des Kohlendioxids erfolgt dabei jeweils in die Allylgruppe, die sich aus dem Butadien bildet.
Planar concave grating wavelength demultiplexers with flattened spectral response based on SU-8 polymer waveguides (2016)

Planar concave grating wavelength demultiplexers with a flattened spectral response are realized based on SU-8 polymer waveguides. The flattened spectral response is accomplished by using an optimized multimode interference (MMI) coupler as the input aperture of the planar waveguide for all spectrally separated channels. The mode field distribution at the input of the planar waveguide is controlled by adjusting the width of the input taper connected to the MMI coupler. The devices are fabricated by cost-effective one-step UV lithography. Experimental results show that the desired flattened spectral response has been realized. The on-chip loss, crosstalk, and nonuniformity of the fabricated device are −14.8, −22, and 2.5 dB, respectively.
Divergent Approach for the Synthesis of Gombamide A and Derivatives (2016)

A synthesis of gombamide A (1) using N-terminal peptide extension, oxidative disulfide bond formation, and late-stage 4-hydroxystyrylamide installation has been achieved. This divergent method was also utilized to synthesize several gombamide A derivatives with modification to the 4-hydroxystyrylamide via cyclic peptide 2. The natural product and four derivatives were found to be devoid of Na(+)/K(+)-ATPase activity at 10 μM. In addition, the compounds were not cytotoxic at 10 μM against a panel of cancer cells.
Impurity rotations in quantum versus classical solids: O2 in solid hydrogens (1997)

Molecular dynamics simulations based on pseudopotentials are used to characterize the difference between impurity rotations in classical versus quantum solids. The method is first applied to the pure solids and demonstrated to faithfully reproduce static and dynamical properties, in the form of pair distributions and phonon density of states of solid H2(D2). Then the rotations of molecular oxygen in the ground X(3Σg−) and electronically excited state A(3Δu) is investigated. Where the substitutional impurity is small, O2(X), in the classical solid, the cavity remains nearly spherical and the molecule undergoes rotation-translation coupled motion. In contrast, in the quantum solid, the lattice locally distorts around the impurity and forces librations with occasional reorientational hops as rotation-distortion coupled motion. These effects are amplified in the excited O2(A) state, in which due to the larger molecular bond length, the angular anisotropy of the guest–host interaction is larger. Now, in the classical solid a small cage distortion forces the molecule into large amplitude librations. The molecule, however, reorients occasionally, when the lattice fluctuations lead to a nearly spherical cage geometry. In the quantum host, O2(A) becomes a strict librator, due to a large and permanent deformation of the soft cage. The results are used to rationalize experimental observations.
8,9-Dihydroxy-2,3,7,11b-tetrahydro-1H-naph[1,2,3-de]isoquinoline:  A Potent Full Dopamine D1 Agonist Containing a Rigid β-Phenyldopamine Pharmacophore (1996)

The present work reports the synthesis and preliminary pharmacological characterization of 8,9-dihydroxy-2,3,7,11b-tetrahydro-1H-naph[1,2,3-de] isoquinoline (4, dinapsoline). This molecule was designed to conserve the essential elements contained in our D1 agonist pharmacophore model (i.e., position and orientation of the nitrogen, hydroxyls, and phenyl rings). It involved taking the backbone of dihydrexidine [3; (+/-)-trans-10, 11-dihydroxy-5,6,6a,7,8,12b-hexahydrobenzo[a] phenanthridine], the first high-affinity full D1 agonist, and tethering the two phenyl rings of dihydrexidine through a methylene bridge and removing the C(7)-C(8) ethano bridge. Preliminary molecular modeling studies demonstrated that these modifications conserved the essential elements of the hypothesized pharmacopore. Dinapsoline 4 had almost identical affinity (KI = 5.9 nM) to 3 at rat striatal D1 receptors and had a shallow competition curve (nH = 0.66) that suggested agonist properties. Consistent with this, in both rat striatum and C-6-mD1 cells, dinapsoline 4 was a full agonist with an EC50 of ca. 30 nM in stimulating synthesis of cAMP via D1 receptors. The design and synthesis of dinapsoline 4 provide a powerful test of the model of the D1 pharmacophore we have developed and provide another chemical series that can be useful probes for the study of D1 receptors. An interesting property of 3 is that it also has relatively high D2 affinity (K0.5 = 50 nM) despite having an accessory phenyl ring usually though to convey D1 selectivity. Dinapsoline 4 was found to have even higher affinity for the D2 receptor (K0.5 = 31 nM) than 3. Because of the high affinity of 4 for D2 receptors, it and its analogs can be powerful tools for exploring the mechanisms of "functional selectivity" (i.e., that 3 is an agonist at some D2 receptors, but an antagonist at others). Together, these data suggest that 4 and its derivatives may be powerful tools in the study of dopamine receptor function and also have potential clinical utility in Parkinson's disease and other conditions where perturbation of dopamine receptors is useful.
Hardware Trojan Attacks: Threat Analysis and Countermeasures (2014)

Security of a computer system has been traditionally related to the security of the software or the information being processed. The underlying hardware used for information processing has been considered trusted. The emergence of hardware Trojan attacks violates this root of trust. These attacks, in the form of malicious modifications of electronic hardware at different stages of its life cycle, pose major security concerns in the electronics industry. An adversary can mount such an attack with an objective to cause operational failure or to leak secret information from inside a chip-e.g., the key in a cryptographic chip, during field operation. Global economic trend that encourages increased reliance on untrusted entities in the hardware design and fabrication process is rapidly enhancing the vulnerability to such attacks. In this paper, we analyze the threat of hardware Trojan attacks; present attack models, types, and scenarios; discuss different forms of protection approaches, both proactive and reactive; and describe emerging attack modes, defenses, and future research pathways.
Microscopic corneal epithelial changes and clinical outcomes in simple limbal epithelial transplantation surgery after treatment with amniotic membrane eye drops (AMED): A case report (2022)

While improving symptoms and clinical characteristics, AMED was also able to restore the normal corneal epithelium's morphology in a case of partial LSCD after SLET and DALK.
Analogs of the cytostatic cyclic tetrapeptide chlamydocin. Synthesis of N.beta.-(N-maleoylglycyl) and N.beta.-(tert-butyloxycarbonyl) derivatives of cyclo(Gly-L-Phe-D-Pro-L-Dap) (1981)

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTAnalogs of the cytostatic cyclic tetrapeptide chlamydocin. Synthesis of N.beta.-(N-maleoylglycyl) and N.beta.-(tert-butyloxycarbonyl) derivatives of cyclo(Gly-L-Phe-D-Pro-L-Dap)Daniel H. Rich, Ronald D. Jasensky, Gerald C. Mueller, and Kristin E. AndersonCite this: J. Med. Chem. 1981, 24, 5, 567–572Publication Date (Print):May 1, 1981Publication History Published online1 May 2002Published inissue 1 May 1981https://pubs.acs.org/doi/10.1021/jm00137a017https://doi.org/10.1021/jm00137a017research-articleACS PublicationsRequest reuse permissionsArticle Views266Altmetric-Citations12LEARN 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
Chemical precision glyco-mutagenesis by glycosyltransferase engineering in living cells (2019)

Abstract Studying posttranslational modifications classically relies on experimental strategies that oversimplify the complex biosynthetic machineries of living cells. Protein glycosylation contributes to essential biological processes, but correlating glycan structure, underlying protein and disease-relevant biosynthetic regulation is currently elusive. Here, we engineer living cells to tag glycans with editable chemical functionalities while providing information on biosynthesis, physiological context and glycan fine structure. We introduce a non-natural substrate biosynthetic pathway and use engineered glycosyltransferases to incorporate chemically tagged sugars into the cell surface glycome of the living cell. We apply the strategy to a particularly redundant yet disease-relevant human glycosyltransferase family, the polypeptide N -acetylgalactosaminyl transferases. This approach bestows a gain-of-function modification on cells where the products of individual glycosyltransferases can be selectively characterized or manipulated at will.
Hard decision based low SNR early termination for LTE Turbo decoding (2011)

In this paper a syndrome based Low SNR early termination (Low SNR ET) scheme for Turbo decoding is presented. The scheme is based only on hard decision binary computations and is therefore easy to realize. While Low SNR ET is a general principle that can be applied in various scenarios, the focus of this work is on its application in the Long Term Evolution (LTE) system. It is shown that Low SNR ET is in particular very effective for typical LTE scenarios and that the proposed scheme can reduce the decoding iterations by about one third.
Dark solitons in nonlinear optics (1993)

Recent theoretical and experimental results on propagation of dark-pulse solitons in nonlinear optical media are reviewed. Using an analytical approach based on the nonlinear Schrodinger equation, the authors describe properties of dark solitons, features of their generation by different input pulses, and the dynamics of dark solitons in the presence of perturbations. They also briefly discuss experimental results which show the possibility of dark-soliton propagation in optical fibers (temporal dark solitons), laser beams passed through a sodium vapor and nonlinear slab waveguides (spatial dark solitons), and demonstrate that theoretical predictions and experimental data are in good agreement.< <ETX xmlns:mml="http://www.w3.org/1998/Math/MathML" xmlns:xlink="http://www.w3.org/1999/xlink">&gt;</ETX>
Polypharmacology in Drug Discovery (2017)

This chapter presents a general introduction to polypharmacology in the context of drug discovery and development. The relationship between polypharmacology and other major concepts such as polypharmacy, drug repurposing, combination of drugs, and in vivo testing is discussed. Modern applications of polypharmacology and polypharmacy in modern epigenetic and antiviral drug development are described as representative examples. An introductory overview of modern methodologies to design and develop multitarget ligands is presented with a special focus on computational-based methods. These approaches include, but are not limited to, target fishing, proteochemometric modeling, data mining of side effects of drugs, and computer-aided drug repurposing.
Manager's expectations can influence staff's behavior. (1989)

In effect, OR managers are teachers. We have an important responsibility to create climates where employees can reach their potentials. We must talk with our employees, encouraging them and recognizing their accomplishments and good work. Don't be afraid to set high expectations. Imagine that all of your employees are "high-potential" individuals.
Improving Nonparametric Estimates of the Sea State Bias in Radar Altimeter Measurements of Sea Level (2002)

A fully nonparametric (NP) version of the sea state bias (SSB) estimation problem in radar altimetry was first presented and solved by Gaspar and Florens () using the statistical technique of kernel smoothing. This solution requires solving a large linear system and thus comes with a significant computational burden. In addition, examination of SSB estimates reveals a marked bias close to the boundaries of the estimation domain. This paper presents efforts to improve both the skill and the computational efficiency of the SSB estimation method. Computational efficiency is rather easily improved by an appropriate kernel choice that transforms the linear system to be solved into a very sparse system for which fast solution algorithms exist. The estimation bias proves to be due to the choice of a rudimentary NP estimator for conditional expectations. Use of a more elaborate estimator appears to be possible after a slight adaptation of the method. This solves the bias problem. Further improvement of the estimation skill is obtained by a local tuning of the kernel bandwidth. The refined estimation method is finally used to obtain a new NP estimate of the TOPEX SSB. This estimate yields larger SSB values than most previous estimates, in better agreement with recent in situ observations.
Digital current mode and voltage control for the dc-dc step-up converter based on the FPGA technology (2010)

This paper introduces a digitally performed voltage and current control mode for dc-dc step up converter based on FPGA technology. The voltage and current measurement was realized by using A/D converters as peripheral units of the FPGA system. Special attention was performed with current measurement and its A/D conversion due to the used predictive current mode algorithm which enables the fully digitalization of the whole control processes.