gebhart/patrepeval huggingface dataset:
S-Matrix Version of the Kohn Variational Principle for Quantum Scattering Theory of Chemical Reactions (1992)

The S-matrix version of the Kohn variational principle reduces quantum scattering (e.g., for describing a bimolecular chemical reaction) to a straightforward quantum mechanical calculation: one chooses basis functions (as cleverly and efficiently as possible), computes matrix elements of the Hamiltonian operator with respect to this basis, and then performs a standard linear algebra calculation (i.e., solves a set of simultaneous linear equations Mx =a for x = M-la).This paper reviews the basic S-matrix Kohn methodology and describes recent developments.The latter are essentially all variations on the theme of searching for "better basis functions"."Better" may mean more accurate basis functions, so that fewer of them are required; examples of this are a contracted basis of L2 functions and distoned "free" functions."Better" may also mean simpler basis functions, that make the Hamiltonian matrix easier to construct and the subsequent linear algebra problem easier to solve; the discrete variable re_presentation (DVR), or basis of grid points for the L2 basis is an example of this.A different way of reducing the size of the basis set is to use a semiclassical correction to the Kohn S-matrix.All of these developments are discussed. S-Matrix Version of the Kahn Variational PrincipleKohn method as we have formulated and used it to date, and Sections N and V describe new developments and directions.The discrete variable representation (DVR) approach as discussed in Section Nc appears in particular to offer the simplest, and thus most powerful avenue for extending these S-matrix Kohn methods to more complex chemical reactions.
Development of a Comprehensive Security System (2019)

This article proposes one of the possible implementations of a comprehensive security system that controls access to the premises while ensuring a high level of local and network information security based on the author's method. The subject of research is the control and user authority segregation to the premises systems. The scientific novelty of this work is to ensure the protection of the network interaction process by encapsulating traffic into overlay networks and using multilayer encryption. Another important aspect of the novelty is the original architecture of the project, which allows access to the premises with the identification of a trusted device within the range of the system, as well as highly accurate recognition of visitors' faces. The last one can be achieved using convolutional neural networks. Before designing and developing the system, a comparative analysis of existing solutions in the field of security systems was carried out. The problematic of most commercial products has been identified: the lack of user authority segregation and the old hardware usage (built on the MIPS architecture). The consequence is the impossibility of using high-grade software and modern encryption algorithms. The proposed comprehensive security system provides user authority segregation to the premises, neutralizing the previously described vulnerabilities and ensuring a high level of information security. The article also describes one of the possible hardware and software implementations of the authoring system based on the Raspberry Pi 3 model B single board computer smoke, doors and windows opening and motion detectors, which one activate camera recording. The project can be used both in the private and in the public sector.
DNA-binding properties of Arabidopsis MADS domain homeotic proteins APETALA1, APETALA3, PISTILLATA and AGAMOUS (1996)

The MADS domain proteins APETALA1 (AP1), APETALA3 (AP3), PISTILLATA (PI), and AGAMOUS (AG) specify the identity of Arabidopsis floral organs. AP1 and AG homocomplexes and AP3-PI heterocomplexes bind to CArG-box sequences. The DNA-binding properties of these complexes were investigated. We find that AP1, AG and AP3-PI are all capable of recognizing the same DNA-binding sites, although with somewhat different affinities. In addition, the three complexes induce similar conformational changes on a CArG-box sequence. Phasing analysis reveals that the induced distortion is DNA bending, oriented toward the minor groove. The molecular dissection of AP1, AP3, PI and AG indicates that the boundaries of the dimerization domains of these proteins vary. The regions required to form a DNA-binding complex include, in addition to the MADS box, the entire L region (which follows the MADS box) and the first putative amphipathic helix of the K box in the case of AP3-PI, while for AP1 and AG only a part of the L region is needed. The similarity of the DNA-binding properties of AP1, AP3-PI and AG is discussed with regard to the biological specificity that these proteins exhibit.
High-throughput in vivo screening of targeted molecular imaging agents (2009)

The rapid development and translation of targeted molecular imaging agents from bench to bedside is currently a slow process, with a clear bottleneck between the discovery of new compounds and the development of an appropriate molecular imaging agent. The ability to identify promising new molecular imaging agents, as well as failures, much earlier in the development process using high-throughput screening techniques could save significant time and money. This work combines the advantages of combinatorial chemistry, site-specific solid-phase radiolabeling, and in vivo imaging for the rapid screening of molecular imaging agents. A one-bead-one-compound library was prepared and evaluated in vitro, leading to the identification of 42 promising lead peptides. Over 11 consecutive days, these peptides, along with a control peptide, were successfully radiolabeled with 4-[(18)F]fluorobenzoic acid and evaluated in vivo using microPET. Four peptides were radiolabeled per day, followed by simultaneous injection of each individual peptide into 2 animals. As a result, 4 promising new molecular imaging agents were identified that otherwise would not have been selected based solely on in vitro data. This study is the first example of the practical application of a high-throughput screening approach using microPET imaging of [(18)F]-labeled peptides for the rapid in vivo identification of potential new molecular imaging agents.
Parathyroid Hormone–Related Peptide as a Local Regulator of Vascular Calcification (1997)

In the present study, we investigated the role of parathyroid hormone-related peptide (PTHrP) in vascular calcification by using an in vitro calcification model. We demonstrated that the expression of PTHrP decreased in the progression of bovine vascular smooth muscle cell (BVSMC) calcification and that inhibition of calcification by etidronate (EHDP) and levamisole restored PTHrP secretion, suggesting that the expression of PTHrP is associated with calcification. PTHrP (1-34) and PTH (1-34) dose-dependently inhibited BVSMC calcification. Protein kinase A (PKA) and protein kinase C (PKC) inhibitors completely blocked the inhibitory effect of PTHrP, suggesting that both PKA and PKC may be involved in its signaling pathway. Moreover, PTHrP inhibited alkaline phosphatase (ALP) activity, implying that the impact on ALP may contribute to its action on calcification. Furthermore, the PTHrP antagonist, PTHrP (7-34), dose-dependently increased calcium deposition by BVSMC. Interestingly, PTHrP production by BVSMC dramatically increased in the presence of EHDP, and PTHrP (7-34) partially antagonized the inhibitory effect of EHDP on BVSMC calcification. These results suggest that PTHrP may regulate vascular calcification as an autocrine/paracrine factor.
Seed Dormancy in the Prairie Forb Echinacea angustifolia Var. Angustifolia (Asteraceae): Afterripening Pattern During Cold Stratification (1992)

Cold stratification was required to break dormancy in seeds of Echinacea angustifolia var. angustifolia, a widely distributed taxon of prairies and barrens in the midcontinental United States. The temperature requirements for germination of E. angustifolia seeds coming out of dormancy differ from those reported for 15 other species of Asteraceae, which first began to germinate at high (30/15, 35/20) or at medium (20/10 C) temperatures. As seeds of E. angustifolia began to afterripen, they germinated over a range of thermoperiods including 15/6, 20/10, 25/15, and 30/15 C. After 8 wk of stratification, seeds germinated to 63%-91% at 15/6, 20/10, and 25/15 C. Thus, even when seeds are not fully afterripened, they can germinate to high percentages at low spring temperatures, whereas those of other spring-germinating composites must be nondormant to germinate well at low temperatures.
High-frequency Bragg gratings in a photothermorefractive glass (2000)

Holographic UV mirrors were recorded in a volume of photothermorefractive glass. This photosensitive silicate glass doped with silver, cerium, and fluorine is transparent in the near-UV, visible, and near-IR spectral regions, and its induced refractive-index change reaches 10(-3). UV radiation of a He-Cd laser at 325 nm was used for Bragg grating recording with a spatial frequency of approximately 9200 mm(-1). The absolute diffraction efficiency of the recorded mirror reached 12.6% at 325 nm and did not deteriorate under the long-time effects of optical irradiation and heating up 400 degrees C.
Studies on zinc in wound healing. (1990)

Topical zinc is widely used in wound treatment although the beneficial effect of zinc has only been documented in zinc-deficient patients who were given zinc orally. The main purpose of this study was to investigate the effect of topically applied zinc on leg ulcer healing and examine its effect on some mechanisms in wound healing using standardized animal models. Additionally, absorption of zinc into wounds and intact skin treated topically with zinc was studied. In a double-blind trial involving 37 leg ulcer patients with low serum zinc levels, topical zinc oxide promoted cleansing and re-epithelialization. Infections and deteriorations of ulcers were less common in zinc oxide treated patients. Re-epithelialization, an important mechanism in the closure of leg ulcers, was enhanced with zinc oxide applied topically on partial-thickness wounds in pigs with normal zinc status. Zinc sulfate at three different concentrations did not, however, result in this beneficial effect on the resurfacing of wounds. The inflammatory reaction was diminished in zinc treated wounds except when a high zinc sulfate concentration was applied. Bacterial growth and concomitant diseases such as diabetes can complicate wound healing. In normal rats, bacterial growth in full-thickness wounds was reduced with topical zinc oxide but not in hyperglycemic diabetic rats. The anti-bacterial mechanism of zinc oxide seemed to be more indirect and to be mediated via local defense systems rather than being directly toxic to the bacteria. Healing of 21-day-old skin incisions was impaired in zinc deficiency, as measured by a significantly decreased wound breaking strength in zinc-deficient rats compared with that of pair-fed controls. The decreased breaking strength did not seem to be due to differences in collagen concentration of the wounds. Zinc oxide was slowly but continuously solubilized when applied on open wounds in rats. On the other hand, with zinc sulfate, the zinc concentrations, either locally or systemically, did not maintain a constant level for the 48-hour post-operative treatment period as they did with zinc oxide. Zinc absorption in and through normal human forearm skin was demonstrated after treatment with a zinc oxide medicated occlusive dressing by increased zinc levels in epidermis, interstitial fluid and dermis compared with the non-zinc control dressing. In conclusion, topical zinc may stimulate leg ulcer healing by enhancing re-epithelialization, decreasing inflammation and bacterial growth. When zinc is applied on wounds it not only corrects a local zinc deficit but also acts pharmacologically.(ABSTRACT TRUNCATED AT 400 WORDS)
Methyl-directed repair of DNA base-pair mismatches in vitro. (1983)

An assay has been developed that permits analysis of DNA mismatch repair in cell-free extracts of Escherichia coli. The method relies on repair of heteroduplex molecules of f1 R229 DNA, which contain a base-pair mismatch within the single EcoRI site of the molecule. As observed with mismatch heteroduplexes of lambda DNA [Pukkila, P. J., Peterson, J., Herman, G., Modrich, P. & Meselson, M. (1983) Genetics, in press], in vivo mismatch correction of f1 heteroduplexes is directed by the state of dam methylation of d(G-A-T-C) sequences within the DNA duplex. Thus, the heteroduplex (formula: see book) is repaired in vivo to an EcoRI-sensitive form if the strand bearing the wild-type EcoRI sequence carries the dam modification and the other does not. Such molecules are also subject to mismatch repair by E. coli extracts. The in vitro activity is also dependent on ATP, the state of dam methylation of mismatch heteroduplexes, and products of mutH, mutL, mutS, and uvrE loci. However, crude fractions deficient in these gene products do complement in the cell-free system, thus providing assays for their isolation. The in vitro reaction is accompanied by repair synthesis on the unmethylated DNA strand.
Envelope tracking power amplifier with pre-distortion linearization for WLAN 802.11g (2004)

This paper presents a power amplifier based on envelope tracking (ET) with application to the WLAN 802.11g system. Baseband pre-distortion is implemented to improve the linearity. A high-efficiency wide-bandwidth envelope amplifier and a GaAs MESFET class AB RFPA are designed and implemented for the system. An overall system drain efficiency of 30% is obtained for an OFDM output power of 20 dBm at 2.4GHz.
Mixtures of whole blood and hydroxyethyl starch—hemoglobin polymers (1983)

This study examines some of the biophysical properties of mixtures of whole blood with 3 different hydroxyethyl starch-hemoglobin (HES-Hgb) polymer blood substitutes. The polymers have about a 3-fold range of number average molecular weight and intrinsic viscosity range. The range dependent rheologic studies with a 60 g/L of polymer solution showed that all 3 blood substitutes were very effective hemodiluents paralleling the hemorheologic properties of the starting HES polymers. The 2 higher molecular weight polymers enhanced the erythrocyte sedimentation rates (ESR) at an 8:1 blood to polymer dilution; however, the lowest molecular weight sample actually retarded the settling. The kinetics of malonamide-induced hemolysis indicated that these new polymers do not increase the rate of hemolysis but rather, offer some protection in a manner similar to stroma-free Hgb (SFH) solutions. The oxygen transport properties determined by biotonometry during an exchange transfusion showed that the P50 values decreased and were dependent upon the Hct. However, these samples were able to maintain rats at an Hct level of 10%.
Atomic Layer Deposition of Aluminum Metal Films Using a Thermally Stable Aluminum Hydride Reducing Agent (2018)

ADVERTISEMENT RETURN TO ISSUEPREVCommunicationNEXTAtomic Layer Deposition of Aluminum Metal Films Using a Thermally Stable Aluminum Hydride Reducing AgentKyle J. BlakeneyKyle J. BlakeneyDepartment of Chemistry, Wayne State University, 5101 Cass Avenue, Detroit, Michigan 48202, United StatesMore by Kyle J. Blakeneyhttp://orcid.org/0000-0002-0375-0056 and Charles H. Winter*Charles H. WinterDepartment of Chemistry, Wayne State University, 5101 Cass Avenue, Detroit, Michigan 48202, United States*C. H. Winter. E-mail: [email protected]More by Charles H. Winterhttp://orcid.org/0000-0003-0416-1234Cite this: Chem. Mater. 2018, 30, 6, 1844–1848Publication Date (Web):March 12, 2018Publication History Received30 January 2018Revised9 March 2018Published online12 March 2018Published inissue 27 March 2018https://pubs.acs.org/doi/10.1021/acs.chemmater.8b00445https://doi.org/10.1021/acs.chemmater.8b00445rapid-communicationACS PublicationsCopyright © 2018 American Chemical SocietyRequest reuse permissionsArticle Views3611Altmetric-Citations29LEARN 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:Atomic layer deposition,Chemical vapor deposition,Crystallization,Metals,Thin films Get e-Alerts
Marker rescue of temperature-sensitive mutations of vaccinia virus WR: correlation of genetic and physical maps (1983)

The physical map locations of 62 temperature-sensitive mutations of vaccinia virus WR have been determined by marker rescue experiments, using cloned HindIII fragments of wild-type DNA. Since vaccinia virus DNA is not infectious, marker rescue was performed by infecting monolayers of cells at the nonpermissive temperature with a low multiplicity of the mutant to be rescued and transfecting with calcium phosphate-precipitated recombinant DNA. Wild-type recombinants were measured by using either a direct plaque assay technique or a two-step procedure in which the final yield of virus from the transfected cells was assayed at the permissive and nonpermissive temperatures. Mutants that had been previously assigned to the same complementation-recombination group were rescued by the same HindIII fragment, with the exception of three mutants in one group that were rescued by either one of two adjacent fragments. A comparison between the genetic linkage map of the temperature-sensitive mutations in 30 mutants with their physical locations demonstrated that not only was the order of the genetic map correct but also recombination frequencies generally reflected actual physical distances.
Site-Specific Recombination of Temperate Myxococcus xanthus Phage Mx8: Regulation of Integrase Activity by Reversible, Covalent Modification (1999)

Temperate Myxococcus xanthus phage Mx8 integrates into the attB locus of the M. xanthus genome. The phage attachment site, attP, is required in cis for integration and lies within the int (integrase) coding sequence. Site-specific integration of Mx8 alters the 3' end of int to generate the modified intX gene, which encodes a less active form of integrase with a different C terminus. The phage-encoded (Int) form of integrase promotes attP x attB recombination more efficiently than attR x attB, attL x attB, or attB x attB recombination. The attP and attB sites share a common core. Sequences flanking both sides of the attP core within the int gene are necessary for attP function. This information shows that the directionality of the integration reaction depends on arm sequences flanking both sides of the attP core. Expression of the uoi gene immediately upstream of int inhibits integrative (attP x attB) recombination, supporting the idea that uoi encodes the Mx8 excisionase. Integrase catalyzes a reaction that alters the primary sequence of its gene; the change in the primary amino acid sequence of Mx8 integrase resulting from the reaction that it catalyzes is a novel mechanism by which the reversible, covalent modification of an enzyme is used to regulate its specific activity. The lower specific activity of the prophage-encoded IntX integrase acts to limit excisive site-specific recombination in lysogens carrying a single Mx8 prophage, which are less immune to superinfection than lysogens carrying multiple, tandem prophages. Thus, this mechanism serves to regulate Mx8 site-specific recombination and superinfection immunity coordinately and thereby to preserve the integrity of the lysogenic state.
Structural Basis for the Entrance into the Phenylpropanoid Metabolism Catalyzed by Phenylalanine Ammonia-Lyase (2004)

Because of its key role in secondary phenylpropanoid metabolism, Phe ammonia-lyase is one of the most extensively studied plant enzymes. To provide a basis for detailed structure-function studies, the enzyme from parsley (Petroselinum crispum) was crystallized, and the structure was elucidated at 1.7-A resolution. It contains the unusual electrophilic 4-methylidene-imidazole-5-one group, which is derived from a tripeptide segment in two autocatalytic dehydration reactions. The enzyme resembles His ammonia-lyase from the general His degradation pathway but contains 207 additional residues, mainly in an N-terminal extension rigidifying a domain interface and in an inserted alpha-helical domain restricting the access to the active center. Presumably, Phe ammonia-lyase developed from His ammonia-lyase when fungi and plants diverged from the other kingdoms. A pathway of the catalyzed reaction is proposed in agreement with established biochemical data. The inactivation of the enzyme by a nucleophile is described in detail.
From Studio to Home — How Good is the Electronic Highway? (1984)

Deterioration de l'image entre le studio et le telespectateur. Possibilites d'amelioration selon les divers types de transmission
Transfer RNA Methytransferases and Their Corresponding Modifications in Budding Yeast and Humans: Activities, Predications, and Potential Roles in Human Health (2011)

Throughout the kingdoms of life, transfer RNA (tRNA) undergoes over 100 enzyme-catalyzed, methyl-based modifications. Although a majority of the methylations are conserved from bacteria to mammals, the functions of a number of these modifications are unknown. Many of the proteins responsible for tRNA methylation, named tRNA methyltransferases (Trms), have been characterized in Saccharomyces cerevisiae. In contrast, only a few human Trms have been characterized. A BLAST search for human homologs of each S. cerevisiae Trm revealed a total of 34 human proteins matching our search criteria for an S. cerevisiae Trm homolog candidate. We have compiled a database cataloging basic information about each human and yeast Trm. Every S. cerevisiae Trm has at least one human homolog, while several Trms have multiple candidates. A search of cancer cell versus normal cell mRNA expression studies submitted to Oncomine found that 30 of the homolog genes display a significant change in mRNA expression levels in at least one data set. While 6 of the 34 human homolog candidates have confirmed tRNA methylation activity, the other candidates remain uncharacterized. We believe that our database will serve as a resource for investigating the role of human Trms in cellular stress signaling.