gebhart/patrepeval huggingface dataset:
A novel prodrug approach for tertiary amines. 2. Physicochemical and in vitro enzymatic evaluation of selected N‐phosphonooxymethyl prodrugs (1999)

Quaternary amine prodrugs resulting from N-phosphonooxymethyl derivatization of the tertiary amine functionality of drugs represents a novel approach for improving their water solubility. Separate reports have demonstrated the synthetic feasibility and rapid and quantitative prodrug to parent drug conversion in rats and dogs. This work is a preliminary evaluation of the physicochemical and in vitro enzymatic reversion properties of selected prodrugs. The loxapine prodrug had over a 15 000-fold increase in aqueous solubility relative to loxapine free base at pH 7.4. The loxapine prodrug was also shown to be quite stable at neutral pH values. The time for degradation product (parent drug) precipitation from an aqueous prodrug formulation would be expected to dictate the shelf life. Using this assumption, together with solubility and elevated temperature chemical stability studies, the shelf life of a parenteral formulation of the loxapine prodrug was projected to be close to 2 years at pH 7.4 and 25 degrees C. In addition, the prodrugs of cinnarizine and loxapine have been shown to be substrates for alkaline phosphatase, an enzyme found throughout the human body, and revert to the parent compound in its presence. The results from these evaluations demonstrate that the derivatives examined have many of the ideal properties required for potential clinical application.
Development of high-resolution multiple-SNP arrays for genetic analyses and molecular breeding through genotyping by target sequencing and liquid chip (2021)

Genotyping platforms, as critical supports for genomics, genetics, and molecular breeding, have been well implemented at national institutions/universities in developed countries and multinational seed companies that possess high-throughput, automatic, large-scale, and shared facilities. In this study, we integrated an improved genotyping by target sequencing (GBTS) system with capture-in-solution (liquid chip) technology to develop a multiple single-nucleotide polymorphism (mSNP) approach in which mSNPs can be captured from a single amplicon. From one 40K maize mSNP panel, we developed three types of markers (40K mSNPs, 251K SNPs, and 690K haplotypes), and generated multiple panels with various marker densities (1K-40K mSNPs) by sequencing at different depths. Comparative genetic diversity analysis was performed with genic versus intergenic markers and di-allelic SNPs versus non-typical SNPs. Compared with the one-amplicon-one-SNP system, mSNPs and within-mSNP haplotypes are more powerful for genetic diversity detection, linkage disequilibrium decay analysis, and genome-wide association studies. The technologies, protocols, and application scenarios developed for maize in this study will serve as a model for the development of mSNP arrays and highly efficient GBTS systems in animals, plants, and microorganisms.
A 3D game based learning application in engineering education: Powering a recreational boat with renewable energy sources (2012)

In this paper, a game based learning application in engineering education is presented. A Learning module with support of a 3D game environment was developed to teach the design of driving system of a recreational boat powered with renewable energy sources. 3D game was designed to enable learners to meet learning objectives of competency based learning module. The 3D game environment enables experiential learning so that learners are able to practice real world problems.
Trends in der Naturstoff‐Forschung (1999)

Abstract Themenschwerpunkte der 11. Irseer‐Naturstofftage der Dechema waren Tropenkrankheiten und ihre Bekämpfung, neue Perspektiven für den Pflanzenschutz sowie Resistenzentwicklung. Auch das diesjährige Treffen bot ein breites Forum für Wissenschaftlerinnen und Wissenschaftler aus Universität, Forschungseinrichtungen und der Industrie.
ChemInform Abstract: A Novel Approach to Tricyclic Pharmaceuticals via Directed Dilithiation of Diaryl Compounds. (1996)

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.
An FPGA prototype for the experimental evaluation of a multizone network cache (2004)

Network routers rely on Content Addressable Memories (CAMs) to accelerate the process of looking up the next hop of a packet. We describe our implementation of a versatile prototype for a CAM. This prototype allows the empirical evaluation of the idea of caching lookup results in a multizone cache organized according to the length of the network prefix portion of the addresses. Implementing a cache in an FPGA efficiently required the design of a new cache replacement policy, the Bank Nth Chance policy. In this paper we present results from a functional simulator that allows the comparison of this new policy with existing ones such as LRU, FIFO and Second Chance. We have a complete and functional prototype with pipelined lookups implemented in a Xilinx Virtex 2000E device; we also report frequency of operation and occupation of the device.
RNA−Peptide Binding and the Effect of Inhibitor and RNA Mutation Studied by On-Line Acoustic Wave Sensor (2002)

Acoustic wave devices of the transverse shear-wave type are becoming increasingly important in the study of biochemical binding events at the solid-liquid interface in real time. The operation of the sensor is based on the principle that perturbations occurring at the solid-liquid interface result in changes in the propagating characteristics of the acoustic wave. The binding of the human immunodeficiency virus-type 1 Tat protein to the transactivation-responsive RNA element has been studied using this sensor. Variable acoustic signals in terms of frequency and motional resistance changes are obtained when surface-immobilized RNA is challenged by different peptide fragments derived from Tat protein. The effect of peptide concentration and mutation in addition to the inhibition of RNA-peptide binding by neomycin has been investigated. The results of this study suggest that acoustic physics offers considerable potential for the screening of small-molecule interactions with nucleic acids.
Isolation and Mutagenesis of a Capsule-Like Complex (CLC) from Francisella tularensis, and Contribution of the CLC to F. tularensis Virulence in Mice (2011)

Our results indicated that the CLC may be a glycoprotein, FTL_1422 and -FTL_1423 were involved in CLC biosynthesis, the CLC contributed to the virulence of F. tularensis LVS, and a CLC-deficient mutant of LVS can protect mice against challenge with the parent strain.
Substituent Effects on Noncovalent Bonds: Complexes of Ionized Benzene Derivatives with Hydrogen Cyanide (2013)

Here, we report the first experimental and computational study of the noncovalent binding energies and structures of ionized benzenes containing electron-withdrawing substituents solvated by one to four HCN molecules. Measured by ion mobility mass spectrometric equilibrium studies, the bond dissociation enthalpies of the first HCN molecule to the fluorobenzene (C6H5F(•+)), 1,4-difluorobenzene (C6H4F2(•+)), and benzonitrile (C6H5CN(•+)) ions (11.2, 11.2, and 9.2 kcal/mol, respectively) are similar to those of HCN with the benzene (C6H6(•+)) and phenyacetylene (C6H5CCH(•+)) radical cations (9.2 and 10.5 kcal/mol, respectively). DFT calculations at the B3LYP/6-311++G(d,p) level show that HCN can form in-plane hydrogen bonds to ring hydrogens, or bind electrostatically to positively charged carbon centers in the ring. The electron-withdrawing substituents increase the bond energy by increasing the partial positive charge on the ring hydrogens that form CH(δ+)---NCH bonds, and by creating a π hole, as evidenced by positive charge centers on the fluorinated ring carbons for electrostatically bonded isomers. In the complexes of benzonitrile(•+), similar to benzene(•+), hydrogen bonded planar isomers have the lowest energy. In the complexes of (fluorinated benzene)(•+), the lowest energy isomers are electrostatically bonded where HCN is perpendicular to the ring and its dipole points to a positively charged ring carbon. However, in all cases the planar hydrogen-bonded and vertical electrostatic isomers have similar binding energies within 1 kcal/mol, although HCN interacts with different sites of the ionized benzenes in these isomers, suggesting that the observed cluster populations are mixtures of the planar and vertical isomers. Further HCN molecules can bind directly to unoccupied ring CH hydrogens or bind to the first-shell HCN molecules to form linear HCN---HCN--- hydrogen bonded chains. The binding energies decrease stepwise to about 6-7 kcal/mol by 4 HCN molecules, approaching the macroscopic enthalpy of vaporization of liquid HCN (6.0 kcal/mol).
Detection of natural bio-toxins using an improved design interdigital sensors (2011)

New types of interdigital sensors have been fabricated to investigate their sensing performance. New sensors have been fabricated using different method of manufacturing. Each manufacturing technique used different substrates. Due to different values of permittivity of different substrate, the capacitance values and corresponding impedance values are influenced by these substrates. The substrates variation was used to investigate the effect of substrate properties on sensing performance. The first design was fabricated on a Printed Circuit Board (PCB) material made from a FR-4; the second sensor design was fabricated using thick film on alumina. The third sensor was designed using thin-film (MEMS) technology and was fabricated on a glass substrate. The performances of the sensors were evaluated for different configurations of the electrode structures as well as dielectric materials. Initial experiments have been conducted to analyse the sensor's performance with two peptide derivatives namely Sarcosine and Proline. These peptides are closely related to the target molecule of domoic acid, a natural toxin in seafood. This paper will highlight the design, analysis and fabrication of novel type of planar interdigital sensors. Impedance Spectroscopy detection technique has been used to analyse the sensors performance.
Synthesis of bis‐2,7‐substituted 1,2,3,6,7,8‐hexahydroisoindolo[5,6‐f]isoindole‐1,3,6,8‐tetraones (1991)

Abstract A series of bis‐2,7‐substituted 1,2,3,6,7,8‐hexahydroisoindolo[5,6‐ f ]isoindole‐1,3,6,8‐tetraones (naphthalene diimides) has been synthesized. The key intermediate required for synthesis of the naphthalene diimides, 2,3,6,7‐naphthalnetetracarboxylic dianhydride ( 2 ) was prepared starting from allene and maleic anhydride. The bis‐anhydride 2 was converted to the naphthalene diimides using conventional methodology by the reaction with amines in organic solvents.
Faculty Opinions recommendation of Presynaptic α2δ-2 Calcium Channel Subunits Regulate Postsynaptic GABAA Receptor Abundance and Axonal Wiring. (2019)

Presynaptic ␣ 2 ␦ subunits of voltage-gated calcium channels regulate channel abundance and are involved in glutamatergic synapse formation.However, little is known about the specific functions of the individual ␣ 2 ␦ isoforms and their role in GABAergic synapses.Using primary neuronal cultures of embryonic mice of both sexes, we here report that presynaptic overexpression of ␣ 2 ␦-2 in GABAergic synapses strongly increases clustering of postsynaptic GABA A Rs. Strikingly, presynaptic ␣ 2 ␦-2 exerts the same effect in glutamatergic synapses, leading to a mismatched localization of GABA A Rs.This mismatching is caused by an aberrant wiring of glutamatergic presynaptic boutons with GABAergic postsynaptic positions.The trans-synaptic effect of ␣ 2 ␦-2 is independent of the prototypical cell-adhesion molecules ␣-neurexins (␣-Nrxns); however, ␣-Nrxns together with ␣ 2 ␦-2 can modulate postsynaptic GABA A R abundance.Finally, exclusion of the alternatively spliced exon 23 of ␣ 2 ␦-2 is essential for the trans-synaptic mechanism.The novel function of ␣ 2 ␦-2 identified here may explain how abnormal ␣ 2 ␦ subunit expression can cause excitatory-inhibitory imbalance often associated with neuropsychiatric disorders.
Adhesion and Debonding of Pressure Sensitive Adhesives Used in Transdermal Drug Delivery Systems (2001)

Pressure sensitive adhesives are used as the adhesive layer to adhere transdermal drug delivery devices to the stratum corneum due to their desirable properties of initial and long-term adhesion, clean removability, and
Electrophoretic Deposition and Characterization of Transparent Nanocomposite Films of YVO4:Bi3+,Eu3+ Nanophosphor and Silicone-Modified Acrylic Resin (2014)

We fabricated nanocomposite films from an aqueous suspension of red-emitting YVO4:Bi(3+),Eu(3+) nanoparticles (hydrodynamic size: 22 ± 6 nm) and silicone-modified acrylic resin nanoparticles of (60 ± 15 nm) by electrophoretic deposition under application of a constant voltage. The nanocomposite films were formed from these negatively charged nanoparticles on ITO-coated glass substrates on the anodic side at the volume ratio of nanophosphor:resin ∼ 40:60. According to transmission electron microscopy observations, the YVO4:Bi(3+),Eu(3+) nanoparticles are well-dispersed around the resin nanoparticles. The fabricated films are transparent to the naked eye under white light because both nanoparticles show no absorption and low light scattering in the visible region. A silicone-modified acrylic resin film without the nanophosphor exhibits no absorption in the UV region (>300.0 nm). However, the fabricated nanocomposite films show near-UV absorption owing to the interband transition between the valence band and the conduction band of the YVO4:Bi(3+),Eu(3+) nanoparticles. A sharp emission peak corresponding to the (5)D0 → (7)F2 transition of Eu(3+) is observed at 619.5 nm, under 365.0 nm excitation, for each nanocomposite film. The photoluminescence intensity at 619.5 nm under 365.0 nm excitation is proportional to 1-10(-OD) (OD: optical density at 365.0 nm) for film thicknesses ≤6 μm. This is attributed to the low light scattering from both nanoparticles in the nanocomposite film. Conversely, the observed photoluminescence intensity for film thicknesses >6 μm is higher than the value expected from the proportional relationship. This suggests that the excitation of the nanophosphors efficiently occurs due to multiple scattering of excitation light.
Das erweiterte genetische Alphabet (2015)

Abstract Seit dem letzten gemeinsamen Vorfahren allen Lebens auf der Erde wird die gesamte biologische Information durch ein genetisches Alphabet codiert, das aus nur vier Nucleotiden und den von ihnen gebildeten zwei Basenpaaren besteht. Aus langjährigen Versuchen, aus zwei synthetischen Nucleotiden ein drittes, nichtnatürliches Basenpaar (UBP) zu formen, haben sich jetzt drei vielversprechende Kandidaten herauskristallisiert. Eines dieser UBPs basiert auf alternativen Wasserstoffbrücken, während die beiden anderen durch hydrophobe Kräfte und Stapelkräfte stabilisiert werden. Alle drei dieser UBPs werden bemerkenswert effizient und zuverlässig repliziert und transkribiert. Die beiden letztgenannten UBP‐Typen belegen, dass nicht nur auf Basis von Wasserstoffbrücken Erbinformation gespeichert und wieder abgerufen werden kann. Dieser Aufsatz beschreibt die jüngsten Entwicklungen auf dem Gebiet der UBPs sowie ihre mögliche Anwendungen, einschließlich der Erweiterung der Evolution um den Einbau neuer Funktionalität sowie der Erschaffung semisynthetischen Lebens, das zusätzliche Information speichern kann.
ChemInform Abstract: Thiocarbamates as Novel Backbone Analogues in Oligonucleotides. (1995)

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.
PI3K pathway regulates ER-dependent transcription in breast cancer through the epigenetic regulator KMT2D (2017)

Activating mutations in <i>PIK3CA</i>, the gene encoding phosphoinositide-(3)-kinase α (PI3Kα), are frequently found in estrogen receptor (ER)-positive breast cancer. PI3Kα inhibitors, now in late-stage clinical development, elicit a robust compensatory increase in ER-dependent transcription that limits therapeutic efficacy. We investigated the chromatin-based mechanisms leading to the activation of ER upon PI3Kα inhibition. We found that PI3Kα inhibition mediates an open chromatin state at the ER target loci in breast cancer models and clinical samples. KMT2D, a histone H3 lysine 4 methyltransferase, is required for FOXA1, PBX1, and ER recruitment and activation. AKT binds and phosphorylates KMT2D, attenuating methyltransferase activity and ER function, whereas PI3Kα inhibition enhances KMT2D activity. These findings uncover a mechanism that controls the activation of ER by the posttranslational modification of epigenetic regulators, providing a rationale for epigenetic therapy in ER-positive breast cancer.
A block detector for a multislice, depth-of-interaction MR-compatible PET (2005)

We proposed and tested the a block detector for a multislice, depth-of-interaction (DOI) MR-compatible positron emission tomography (PET). The detector consists of a block detector, four optical fibers and photo-multiplier tubes (PMTs). The block detector is a lutetium oxyorthosilicate (LSO) DOI detector comprising eight LSOs arranged in a 2/spl times/2/spl times/2 matrix based on the concept proposed by Murayama et al. The size of a single scintillator of a prototype block detector was 2/spl times/2/spl times/2 mm. The scintillation photons are collected from the side of the scintillator block detector and are transferred to four channels of the position-sensitive PMT (PSPMT) using four optical fibers several meters long. The outputs of the PSPMT signals are calculated to determine the position of gamma interaction in the block detector. Results show that although the light loss from using the fiber was around 90%, there were sufficient transferred scintillation photons to obtain the photo-peak and to calculate the position of gamma interaction in the block detector with reasonable separation. We also modified the block detector to improve the performance of the detector. The size of a single scintillator of the modified block detector was enlarged to be 2.5 mm (transaxial) /spl times/ 3.5 mm (axial) /spl times/ 3.5 mm (depth) to improve the sensitivity. Good position responses as well as time resolution of 5.6-ns full-width at half-maximum (FWHM) were obtained for the modified block detector. With these results, we conclude that a two-rings, two-layer DOI-MR-compatible PET can be realized using the proposed block detector.
Effect of oxide overlayer formation on the growth of gold catalyzed epitaxial silicon nanowires (2006)

A direct dependence between the inadvertent formation of SiO2 on gold films deposited on silicon ⟨111⟩ substrates, and the nucleation and yield of epitaxial, gold catalyzed, silicon nanowires grown on such substrates is reported. The unintended SiO2 layer formed due to the diffusion of silicon from the underlying substrate through the gold film is observed to be 0.5nm with medium energy ion scattering after brief exposures of 10–15min in air. Silicon nanowires grown at 500°C on such samples show reduced nucleation and growth. A remarkable improvement in nanowire nucleation density and epitaxy is observed on removing the SiO2 overlayer prior nanowire growth.
Comparison of Phantoms in a Browsing Position by a NLOS Outdoor MIMO Propagation Test (2007)

In recent years, MIMO radio propagation techniques for cellular systems are of considerable practical concern since MIMO may provide a high capacity [1, 3]. Thus, various investigations of MIMO channels using human phantoms have been carried out to evaluate MIMO performance [3] in realistic environments. However, there have been few works to examine the
Elektrostatische Aggregation von dendritischen Elektrolyten: negativ und positiv geladene Porphyrin-Dendrimere (1998)

Je 32 Carboxylat- und Ammonium-Funktionalitäten ermöglichen die elektrostatische Wechselwirkung zwischen unterschiedlich geladenen dendritischen Elektrolyten und Porphyrinkernen, die in protischen Medien zu einem supramolekularen, fluoreszenzaktiven Aggregat mit vorausbestimmbarer Anordnung zweier kommunizierender Chromophore führt (siehe rechts, A = Acceptor, D = Donor). Im Unterschied zur Komplexierung linearer Polyelektrolyte besteht der Kontakt zwischen zwei Dendrimermolekülen allerdings nur über einen kleinen Bereich, wie man es bei der Zusammenlagerung kugelförmiger Moleküle erwarten würde.
Comparison of Computed Spray in a Direct-Injection Spark-Ignited Engine with Planar Images (1997)

&lt;div class="htmlview paragraph"&gt;Fuel spray atomization and breakup processes within a direct-injection spark-ignition (DISI) engine and outside the engine were modeled using a modified KIVA-3V code with improved spray models. The structures of the predicted sprays were qualitatively compared with planar images. The considered sprays were created by a prototype pressure-swirl injector and the planar images were obtained by laser sheet imaging in an optical DISI engine. In the out-of-engine case, the spray was injected into atmospheric air, and was modeled in a two dimensional bomb. In the engine case, the injection started from 270° ATDC, and full 3-D computations in the same engine were performed. In both cases, two liquid injection pressure conditions were applied, that is, 3.40 MPa and 6.12 MPa. The model gives good prediction of the tip penetration, and external spray shape, but the internal structure prediction has relatively lower accuracy, especially near the spray axis. The out-of-engine computation reveals that small droplets (diameter less than 10 micron) were entrained by the vortex at the spray tip, and were transported into the interior of the hollow cone by the vortex. Thus small droplets accumulate inside the spray cone. From the planar images, the evolution of the in-cylinder sprays can be summarized as occurring in three stages: immediately after the injection, the spray shows a true hollow cone structure; and then, droplets accumulate inside the spray cone, and the hollow cone structure becomes less obvious; finally, the spray appears to collapse and it loses its well organized conical structure. The model can predict the initial hollow cone structure and also predict when the collapse happens reasonably well, but the droplets near the spray axis were not predicted in the model. However, because the total contribution of these droplets is small, the model still has good overall prediction.&lt;/div&gt;