gebhart/patrepeval huggingface dataset:
The unusually high proton affinity of Aza-18-crown-6 ether: Implications for the molecular recognition of lysine in peptides by lariat crown ethers (2002)

Recent studies have shown that 18-crown-6 ether (18C6) will selectively form adducts in the gas phase with small, lysine containing peptides. The present study extends this work by investigating the ability of aza-18-crown-6 ether (A18C6) and L1 (a simple lariat crown ether derivative of A18C6) to form similar noncovalent adducts with the side chain of lysine in model peptides in the gas phase. The substitution of nitrogen for oxygen greatly increases the proton affinity of A18C6 relative to 18C6 and inhibits the formation of noncovalent adducts with small lysine containing peptides. The proton affinity of A18C6 is determined by the kinetic method to be 250 +/- 1 kcal/mol. This value is much higher than that for diethanolamine (228 kcal/mol) or for 18C6 (231 kcal/mol). This unusually high basicity is rationalized by semi-empirical calculations that suggest a highly symmetrical structure for protonated A18C6 in which the three most distant oxygens are able to fold back and hydrogen bond with the protonated nitrogen. In the case of L1, the lariat side chain is attached by an amide bond, lowering the proton affinity of LI relative to that of A18C6. This allows L1 to form noncovalent adducts with lysine despite the fact that steric repulsion within the cavity of the crown is increased to some extent. The relative ammonium ion affinities of these various crown ethers are shown to serve as qualitative predictors for the molecular recognition of lysine. The order of the relative ammonium ion affinities is 18C6>>L1>A18C6 as determined by the kinetic method. These results suggest that the substitution of nitrogen for oxygen in the crown ether is not beneficial for the molecular recognition of lysine.
DNS of a turbulent boundary layer with surface roughness (2013)

Abstract A pioneer direct numerical simulation (DNS) of a turbulent boundary layer at $R{e}_{\theta } = 2077{{\unicode{x2013}}}2439$ , was performed, on a rough surface and with a zero pressure gradient (ZPG). The boundary layer was subjected to transitional, 24-grit sandpaper surface roughness, with a roughness parameter of ${k}^{+ } \simeq 11$ . The computational method involves a synergy of the dynamic multi-scale approach devised by Araya et al. (2011) for prescribing inlet turbulent boundary conditions and a new methodology for mapping high-resolution topographical surface data into a computational fluid dynamics (CFD) environment. It is shown here that the dynamic multi-scale approach can be successfully extended to simulations which incorporate surface roughness. The DNS results demonstrate good agreement with the laser Doppler anemometry (LDA) measurements performed by Brzek et al. (2008) and Schultz & Flack (2003) under similar conditions in terms of mean velocity profiles, Reynolds stresses and flow parameters, such as the skin friction coefficient, boundary and momentum thicknesses. Further, it is demonstrated that the effects of the surface roughness on the Reynolds stresses, at the values of $R{e}_{\theta } = 2077{{\unicode{x2013}}}2439$ , are scale-dependent. Roughness effects were mainly manifested up to $y/ \delta \approx 0. 1$ . Generally speaking, it was observed that inner peak values of Reynolds stresses increased when considering outer units. However, decreases were seen in inner units. In the outer region, the most significant differences between the present DNS smooth and rough cases were computed in the wall-normal component $\langle {v}^{\prime 2} \rangle $ of the Reynolds stresses and in the Reynolds shear stresses $\langle {u}^{\prime } {v}^{\prime } \rangle $ in outer units. From the resulting flow fields a proper orthogonal decomposition (POD) analysis is performed and the effects of the surface roughness are distinctly observed in the most energetic POD modes. The POD analysis shows that the surface roughness causes a redistribution of the kinetic energy amongst the POD modes with energy being shifted from low-order to high-order modes in the rough case versus the smooth case. Also, the roughness causes a marked decrease in the characteristic wavelengths observed in the POD modes, particularly in the streamwise component of the velocity field. Low-order modes of the streamwise component demonstrated characteristic wavelengths of the order of $3\delta $ in the smooth case, whereas the same modes for the rough case demonstrated characteristic wavelengths of only $\delta $ .
<i>β</i>-Borylallylsilanes as a New Tool for Convenient Synthesis of Alkenylboranes (2001)

ADVERTISEMENT RETURN TO ISSUEPREVCommunicationNEXTβ-Borylallylsilanes as a New Tool for Convenient Synthesis of AlkenylboranesMichinori Suginome, Yutaka Ohmori, and Yoshihiko ItoView Author Information Department of Synthetic Chemistry and Biological Chemistry, Graduate School of Engineering Kyoto University, Kyoto 606-8501, Japan Cite this: J. Am. Chem. Soc. 2001, 123, 19, 4601–4602Publication Date (Web):April 24, 2001Publication History Received30 November 2000Published online24 April 2001Published inissue 1 May 2001https://pubs.acs.org/doi/10.1021/ja0058381https://doi.org/10.1021/ja0058381rapid-communicationACS PublicationsCopyright © 2001 American Chemical SocietyRequest reuse permissionsArticle Views1381Altmetric-Citations51LEARN 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-AlertscloseSupporting Info (1)»Supporting Information Supporting Information SUBJECTS:Aldehydes,Allenes,Cyclization,Ethers,Lewis acids Get e-Alerts
Progressive systemic sclerosis with malignant atrophic papulosis (1969)

A case is discussed in which progressive systemic sclerosis and malignant atrophic papulosis occurred in the same patient. The coincidental occurrence of the two diseases is possible but statistically improbable. Attention is drawn to the similarity of histological blood vessel changes in the two diseases. It is suggested that an immunological abnormality may be the common denominator in etiology or pathogenesis.
Comparative and Prospective Study of Different Immune Parameters in Healthy Subjects at Risk for Tuberculosis and in Tuberculosis Patients (2002)

It has not been fully elucidated which of the components of the immune response against Mycobacterium tuberculosis is indicative of resistance or susceptibility. The aim of this study was to identify an immune parameter that could be indicative of either resistance or susceptibility to M. tuberculosis infection. We prospectively studied (three determinations, at months 0, 8, and 12) 15 patients with chronic pulmonary tuberculosis and 42 healthy individuals with a recent and frequent contact with tuberculosis patients. Peripheral blood mononuclear cells were stimulated with a whole-protein extract or the 30-kDa antigen of M. tuberculosis for 6 days, and several immune parameters were determined. No consistent differences between tuberculosis patients and healthy controls were detected in most immune parameters studied, including the expression of different activation antigens, cytokine secretion, lymphocyte proliferation, and nitric oxide production. However, the synthesis of tumor necrosis factor alpha, the intracellular detection of gamma interferon, and the apoptosis of monocytes under certain culture conditions tended to show clear-cut differences in cells from patients and controls (P < 0.05 in all cases for most determinations). Nevertheless, when results were analyzed on an individual basis, it was evident that a significant degree of overlapping of values from patients and controls occurred for all parameters studied. We conclude that although the immune parameters tested do not allow the identification of individuals susceptible to M. tuberculosis, the specificity and sensitivity of some of them could be improved through future studies.
Conformation Changes and Luminescent Properties of Au-Ln (Ln = Nd, Eu, Er, Yb) Arrays with 5-Ethynyl-2,2′-Bipyridine (2008)

Reaction of polymeric gold(I) acetylide species (bpyC[triple bond]CAu)n (bpyC[triple bond]CH = 5-ethynyl-2,2'-bipyridine) with diphosphine ligands Ph2P(CH2)nPPh2 (n = 2-6) or 1,1'-bis(diphenylphosphino)-ferrocene (dppf) in dichloromethane induces isolation of binuclear gold(I) complexes (bpyC[triple bond]CAu)2{mu-Ph2P(CH2)nPPh2} or (bpyC[triple bond]CAu)2(mu-dppf). Complexation of Ln(hfac)3 (hfac = hexafluoroacetylacetonate, Ln = Nd, Eu, Er, Yb) subunits to the binuclear gold(I) complexes through 2,2'-bipyridyl chelation gives the corresponding Au4Ln4 or Au2Ln2 heteropolynuclear complexes. Noticeably, upon formation of the Au4Ln4 arrays by complexation of (bpyC[triple bond]CAu)2(mu-Ph2P(CH2)4PPh2) (3) with Ln(hfac)3 units, trans-conformation in 3 transforms dramatically to the cis-arranged form due to the strong driving force from ligand-unsupported Au-Au contacts between two Au2Ln2 subunits. In contrast, cis-conformation in (bpyC[triple bond]CAu)2(mu-dppf) (6) stabilized by Au-Au interactions is reversed to the trans-oriented form upon formation of Au2Ln2 arrays by introducing Ln(hfac)3 units through 2,2-bipyridyl chelation. The binuclear gold(I) complexes show bright blue luminescence featured by ligand-centered pi --> pi* (C[triple bond]Cbpy) states together with low-energy emission at 500-540 nm, associated with 3(pi-->pi*) excited states, mixed probably with some characteristic from (Au-Au) --> (C[triple bond]Cbpy) 3MMLCT transition. For Au4Ln4 or Au2Ln2 complexes, sensitized lanthanide luminescence is achieved by energy transfer from Au-acetylide chromophores with lifetimes in the sub-millisecond range for EuIII complexes, whereas in the microsecond range for near-infrared emitting NdIII, ErIII, and YbIII species.
Fast Voxelization of Three-Dimensional Synthetic Objects (1998)

Abstract This paper presents a new approach to the voxelization of threedimensional synthetic objects. It makes use of existing graphics hardware on standard graphics workstations, such as the polygon-based geometry engine and frame buffer operations, and is able to generate the voxel-based volume representations of general curves, surfaces, or solid objects efficiently. On a workstation with hardwaresupported texture mapping, the voxelization result may also be written directly to the three-dimensional texture memory as a three-dimensional texture object, and interactively rendered by the three-dimensional texture-mapping hardware. This approach provides a practical solution to the interactive manipulations of geometric objects within a volume graphics framework.
Response of nesting ducks to habitat and management on the Monte Vista National Wildlife Refuge, Colorado (1996)

We analyzed duck nesting data from the Monte Vista National Wildlife Refuge (MVNWR) in the San Luis Valley (SLV) of Colorado to evaluate the influence of habitat and management on nest density and success. From 1964 to 1990 (except 1977), 4,154 duck nests were found on 16,159 km (10,041 miles) of transect. Strip transects were searched twice annually, with a follow-up visit to nest sites to determine nest fate. During 1964-68, 521 km (324 miles) of transect were searched (142 transects) twice each year, but this was reduced by half during 1969-90 (71 transects). We evaluated information on duck nests in 22 of 24 refuge management units. Mallards (Anas platyrhynchos) composed 54.5% of the duck nests on MVNWR, followed in abundance by teal species (A. cyanoptera, A. discors, A. crecca) and northern pintails (A. acuta). Refuge nest densities ranged from a low of 36 nests/km 2 (93 nests/mi 2 ) in 1979 to a high of 161 nests/km 2 (418 nests/mi 2 ) in 1973. Over the 26-year period (1964-90), 52.4% of 4,154 nests were successful. Apparent annual nest success averaged 49.4% and ranged from 27% in 1978 to 72% in 1966. Nest failure resulted from predation (25.8% of total nests), desertion (10.6%), flooding (4.9%), or unknown causes (10.8%). It was not possible to directly estimate true nest success, but indirect methods suggest that true nest success was 60 to 90% that of apparent nest success. Nest success rates were similar among species. Baltic rush (Juncus balticus) was the most common vegetation on the refuge, followed in abundance by black greasewood (Sarcobatus vermiculatus), inland saltgrass (Distichlis stricta), and other grass species. Stands of common cattail (Typha latifolia), miscellaneous herbaceous vegetation, and Baltic rush were preferred nesting cover, whereas greasewood and saltgrass generally were avoided. Nest density declined (P = 0.037) with increasing grazing intensity, with large (38%) declines apparent the first season after only light grazing (0.2 animal unit month/ha [0.5 AUM/acre]). Three years after grazing, nest density was still depressed at least 17% below estimated pregrazing levels. In addition, nest success declined as grazing intensity increased (P = 0.070). Duck nesting densities on the MVNWR are among the highest reported in North America. High duck production can be maintained by applying water in late March; reducing the frequency of grazing and burning treatments; and developing wetland management units to achieve their potential.
Who’s Out? Who’s In?: (Re)presentations of LGB+ Individuals in Picturebook Biographies (2001)

Through the metaphor of windows, mirrors, and maps this article draws attention to depictions in picturebooks of individuals who identified-or might now be considered because of their romantic, physical, and/or otherwise intimate relationships-as LGB+.However, some picturebook biographies limit information about the person's non-heterosexual orientation more so than others.Therefore, this article examines contemporary picturebook biographies to explore the representations of individuals' sexual orientation and the implications for young readers.The piece begins with a discussion of extant research about LGB(TQ)+ children's literature and asserts the need for biography-focused study.Then the piece outlines methodology and findings, specifically addressing the following questions: (1) What picturebook biographies about LGB+ individuals have been published?(2) How do the books reflect the person's sexual orientation?and (3) What are the implications of such representations?
LncRNA16 is a potential biomarker for diagnosis of early-stage lung cancer that promotes cell proliferation by regulating the cell cycle (2016)

Early diagnosis of lung cancer greatly reduces mortality; however, the lack of suitable plasma biomarkers presents a major obstacle. Recent studies showed that long noncoding RNAs (lncRNAs) played important roles in cancer initiation and development. Here, we identified differentially expressed lncRNAs in 20 lung cancer samples by using custom designed microarray and evaluated their expression in 118 lung cancer samples by real-time PCR (qRT-PCR). lncRNA16 (ENST00000539303) expression was significantly higher in lung cancer tissues (80/118) than in adjacent matched normal tissues. Importantly, this increase was similar to that in plasma (53/84) of lung cancer patients, including early stage. The role of lncRNA16 in lung cancer was studied in vitro and in vivo by using the lung cancer cell lines and xenograft mouse models. The results reveal that knockdown of lncRNA16 inhibited proliferation of PC9 cells in vitro and also inhibited tumor growth in xenograft mouse models. Overexpression of lncRNA16 promoted proliferation of A549 cells in vitro and also promoted tumor growth in xenograft mouse models. Specifically, we showed that lncRNA16 promoted G2/M transition by regulating cyclin B1 transcription. Together, our findings suggest that lncRNA16 is a promising biomarker suitable for early diagnosis of lung cancer, and a potential target for lung cancer treatment.
ChemInform Abstract: Solid‐State Organic Reactions Proceeding by Pulverization: Oxidation and Halogenation with Iodobenzene and Inorganic Solid Supports. (1999)

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.
Novel Encapsulated Functional Dye Particles Based on Alternately Adsorbed Multilayers of Active Oppositely Charged Macromolecular Species (2001)

A comprehensive study of the encapsulation of 11 functional dyes belonging to several chemical groups and subgroups is presented. Layer-by-layer polyelectrolyte adsorption at dye crystal surfaces as well as the removal of the crystal core to obtain semipermeable multilayer microcapsules is conducted. Dye crystals are alternately coated by poly(allylamine hydrochloride) (PAH), poly(styrene sulfonate) (PSS), poly(diallyldimethylammonium chloride) (PDADMAC) using a combination of electrostatic, hydrophobic and van der Waals interactions. It is remarkable that the uncharged organic crystals have successfully been coated with PSS without using any amphiphile. The introduction of a water-soluble shell on a functional dye crystal may be of importance in various technologies. We characterized the prepared multilayers at the particle surface or in the microcapsule (shell) by scanning force microscopy and confocal laser scanning microscopy.
Recent advances in<i>β</i>-decay spectroscopy at CARIBU (2016)

β-decay spectroscopy of nuclei far from stability can provide powerful insight into a broad variety of topics in nuclear science, ranging from exotic nuclear structure phenomena, stellar nucleosynthesis processes, and applied topics such as quantifying “decay heat” discrepancies for advanced nuclear fuel cycles. Neutronrich nuclei approaching the drip-line are difficult to access experimentally, leaving many key examples largely under studied. The CARIBU radioactive beam facility at Argonne National Laboratory exploits spontaneous fission of 252Cf in production of such beams. The X-Array and SATURN decay station have been commissioned to perform detailed decay spectroscopy of low-energy CARIBU beams. An extended science campaign was started during 2015; with projects investigating nuclear shape changes, collective octupole vibrations, β-delayed neutron emission, and decay-scheme properties which could explain the reactor antineutrino puzzle. In this article we review the current status of the setup, update on the first results and recent hardware upgrades, and look forward to future possibilities.
Psychological Manipulation in the Courtroom (1987)

I. The Techniques of Covert Advocacy ... A. Techniques to Induce the Use of Extra-Legal Basis for Decisionmaking ... 1. Courtroom Style as an Extra-Legal Basis for Decisionmaking ... 2. Bias as an Extra-Legal Basis for Decisionmaking ... B. Techniques to Induce Illogical Evaluation of Evidence ... 1. Meaning Manipulators ... 2. Weight Manipulators II. Implications of Covert Advocacy for the Jury System and the Adversary Process ... A. Roles of the Jury and the Adversary Process ... B. Covert Advocacy and Jury Independence III. Controlling Covert Advocacy ... A. The Dangers of Controls ... B. Judicial Control of Covert Advocacy ... C. Jury Control of Covert Advocacy ... 1. Expanding the Jury's Powers ... 2. Increasing and Improving the Flow of Information to the Jury ... 3. Improving the Jury IV . Conclusion
Brain Noise Is Task Dependent and Region Specific (2010)

The emerging organization of anatomical and functional connections during human brain development is thought to facilitate global integration of information. Recent empirical and computational studies have shown that this enhanced capacity for information processing enables a diversified dynamic repertoire that manifests in neural activity as irregularity and noise. However, transient functional networks unfold over multiple time, scales and the embedding of a particular region depends not only on development, but also on the manner in which sensory and cognitive systems are engaged. Here we show that noise is a facet of neural activity that is also sensitive to the task context and is highly region specific. Children (6-16 yr) and adults (20-41 yr) performed a one-back face recognition task with inverted and upright faces. Neuromagnetic activity was estimated at several hundred sources in the brain by applying a beamforming technique to the magnetoencephalogram (MEG). During development, neural activity became more variable across the whole brain, with most robust increases in medial parietal regions, such as the precuneus and posterior cingulate cortex. For young children and adults, activity evoked by upright faces was more variable and noisy compared with inverted faces, and this effect was reliable only in the right fusiform gyrus. These results are consistent with the notion that upright faces engender a variety of integrative neural computations, such as the relations among facial features and their holistic constitution. This study shows that transient changes in functional integration modulated by task demand are evident in the variability of regional neural activity.
Password protection: the next generation (2009)

Since the dawn of computing, passwords and access codes have been used to protect access to computer systems. These passwords protect user accounts. Systems ask for a username and password before access is granted. As some user accounts have increased privileges on systems, the security of these accounts is often given more thought than normal user accounts. However, obtaining the password of even a lowly unprivileged account can be used to gain a toehold onto a system. This can provide a potential springboard to escalate privileges and gain administration access.
Improving Memory Reliability Against Soft Errors Using Block Parity (2011)

Memory reliability is an important issue. The continuous scaling of transistor technology enables the use of larger memories making soft errors more likely to occur. To ensure that those errors do not cause data corruption, error correcting codes (ECC) are commonly used. Single error correction-double error detection codes (SEC-DED) are typically implemented in each memory word, so that a single error in a word can be corrected and two errors can be detected. In this paper, a technique to improve the reliability of memories that use SEC-DED is studied. The proposed technique shows that it is possible to substantially improve the mean time to failure (MTTF) of the memory at the cost of increasing the access time for writing operations.