gebhart/patrepeval huggingface dataset:
In vivoevaluation of a mucoadhesive polymeric caplet for intravaginal anti-HIV-1 delivery and development of a molecular mechanistic model for thermochemical characterization (2014)

The obtained results, which were corroborated by MM simulations, attested that the developed system has the potential for effective delivery of anti-HIV-agents.
Vapor phase addition method to investigate the monomer transport at the latex particle interface (1995)

In emulsion polymerization, monomer can be transferred into the polymer particles either by the diffusion from the aqueous phase or by the collision between the monomer droplets and the polymer particles. To investigate only the diffusional monomer transfer rate at the latex particle interface, a vapor phase addition method was developed. In this method, monomer is transferred from a separate reservoir to the aqueous phase, and then into the latex particles. Because there are no monomer droplets in the aqueous phase, the monomer transfer occurs only by diffusion. The vapor and the water phase resistances were minimized to the extent that the particle interfacial resistance dominated. Using this method, overall mass transfer coefficient of the particle-water interphase, Kwp, can be calculated using conventional mass transfer expressions. For example, vinyl acetate monomer mass transfer coefficient, for monodisperse polystyrene latex particles stabilized with ionic surfactant, sodium lauryl sulfate, was determined. Kwp, was found to be independent of the agitator speed in the range of 400–500 rpm. The calculated value of Kwp was in the order of 10−7 cm/min.
Tracking the Structural Evolution of 4-Aminobenzoic Acid in the Transition from Solution to the Gas Phase (2020)

Here, cryogenic ion mobility-mass spectrometry (cryo-IM-MS) is used to investigate intracluster proton transfer reactions of 4-aminobenzoic acid during the transition from solution to the gas phase. Previous studies have shown that protonation of the amine group of 4-aminobenzoic acid (4-ABAH<sup>+</sup>) is favored in solution (N-protomer), whereas protonation of the carboxylic acid group is favored in the gas phase (O-protomer). Results from cryo-IM-MS (80 K) studies of hydrated 4-ABAH<sup>+</sup> ions, 4-ABAH<sup>+</sup>(H<sub>2</sub>O)<i><sub>n</sub></i>, are interpreted as evidence that the proton transfer reaction occurs through a water bridge at <i>n</i> = 6 connecting the -NH<sub>3</sub><sup>+</sup> and -COOH groups, that is<i>,</i> a Grotthuss mechanism. The weak binding energy of water molecules imposes limits for obtaining first-principles collisional cross sections (CCSs) of hydrated ions; consequently, candidate structures for 4-ABAH<sup>+</sup>(H<sub>2</sub>O)<sub>0-6</sub> ions are derived by correlating experimental arrival-time distributions to theoretically determined CCSs. To our knowledge, these are the first first-principles determinations of CCS for hydrated ions. Apolar cosolvents, particularly acetonitrile, have been postulated to inhibit proton transfer by blocking the Grotthuss mechanism, but our data suggest that acetonitrile simply stabilizes the ammonium ion.
ChemInform Abstract: Handles for Solid‐Phase Chemistry: Progress from Peptide to Small Molecule Synthesis (2000)

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.
Recent Reviews. 42 (1996)

Reviews are listed in order of appearance in the sources indicated. In multidisciplinary review journals, only those reviews which fall within the scope of this Journal are included. Sources are listed alphabetically in three categories: regularly issued review journals and series volumes, contributed volumes, and other monographs. Titles are numbered serially, and these numbers are used for reference in the index. Major English-language sources of critical reviews are covered. Encyclopedic treatises, annual surveys such as Specialist Periodical Reports, and compilations of symposia proceedings are omitted. This installment of Recent Reviews covers principally the middle part of the 1996 literature. Previous installment: J. Org. Chem.1996, 61(14), 4860-8. These Recent Review articles are now also available in a database form on the ACS Organic Division WWW site http://www.organic.emory.edu/acsorg/index.html.
UMWANDLUNG VON 2,2-DIPHENYL-2-FLUOR-2,3-DIHYDRO-1,3,2-BENZOXAZAPHOSPHOLEN I (1980)

Abstract Das Fluoratom in 2,2-Diphenyl-2-fluor-2,3-dihydro-1,3,2-benzoxazaphospholen A ist sehr reaktiv, so daß verschiedene nucleophile Reaktionen mit guten Ausbeuten möglich sind. Bei Einwirkung metallorganischer Verbindungen entstehen 2,2,2-Triorganyl-dihydrophosphole bzw. die entsprechenden (o-Hydroxyphenyl)-iminophosphorane. Durch Umsetzung mit Natriumalkoholaten kann in glatter Reaktion das Fluor gegen eine Alkoxygruppe ausgetauscht werden. Die so dargestellten p-Alkoxydihydro-benzoxazaphosphole lassen sich zu den durch Ringöffnung entstehenden entsprechenden Iminophosphoranyl-phenoxylen oxidieren. Die Strukturen der neu dargestellten Verbindungen werden insbesondere durch NMR- (1H, 31P, 15N) und ESR-Spektren gesichert. The reactivity of the fluoro atom in the 2,2-diphenyl-2-fluoro-2,3-dihydro-1,3,2-benzoxazaphospholes A permits several nucleophilic reactions. The yields of the products obtained are generally good. Addition of metalorganic compounds to A leads to (o-hydroxyphenyl)-iminophosphoranes. In the reaction of A with sodium alcoholates an exchange of the fluoro atom by an alkoxy group takes place. Oxydation of these p-alkoxy-dihydro-benzoxazaphospholes proceeds under ring opening to the corresponding iminophosphoranyl phenoxyles. The structures of the new compounds are investigated mainly by nmr (1H, 31P, 15N) and esr spectroscopy.
Depolarization measurements of an integrating sphere (1995)

Mueller-matrix polarimetry performed in the visible and near IR indicates that an integrating sphere acts as an ideal depolarizer to the 0.5% accuracy of the polarimeter. The integrating sphere emits unpolarized light regardless of the incident polarization state.
Spectroscopy and photodynamics of nanometer size II-VI semiconductor crystallites (1993)

Semiconductor crystallites which are 10s to 100s of Angstroms in diameter occupy a special niche in between bulk solids and isolatedmolecules. These cluster compounds are large enough to exhibit a crystalline core, but small enough that solid state electronic and vibrational band structures is not yet developed. We use solution based methods for the synthesis of high quality nanometer sice (1-10 nm) II-VI semiconductor crystallites with narrow size distributions, emphasizing CdSe, CdS, and CdTe crystallites. The crystallites are characterized using x-ray and electron diffraction techniques. Optical characterization of their electronic structure using hole-burning techniques luminescence, DC Stark and Zeeman techniques reveals both molecular and bulk-like characteristics as well as properties which are unique to nanometer size crystallites. We observe a number of discrete electronic transitions and study their dependence on crystallite diameter. We find that the electron-hole pair dynamics following photoexcitation are dominated by effects which are especially important in these crystallites since a large fraction of the atoms are surface atoms.
Confocal scanning optical microscopy of BaxSr1−xTiO3 thin films (1997)

An optical technique based on confocal scanning optical microscopy (CSOM) is used to image the ferroelectric polarization of BaxSr1−xTiO3 (BST) thin films at room temperature with submicron spatial resolution. BST films were grown by pulsed laser deposition on (100) SrTiO3 and MgO substrates at 750 °C in 300 mTorr of oxygen and postdeposition annealed in flowing oxygen at temperatures ⩽1250 °C. Films of both paraelectric (x=0.5) and ferroelectric (x=0.8) compositions show a coexistence of both paraelectric and ferroelectric phases. The ferroelectric regions exhibit polarization switching and hysteresis at relatively low (1–2 kV/cm) applied fields. These results suggest that nonuniform stress is responsible for the strong inhomogeneous thermal broadening of the ferroelectric phase transition, and that dielectric loss in thin films may be dominated by a relatively small fraction of nanometer-sized regions.
Case-Matched Comparison of Spinal Fusion Versus Growing Rods for Progressive Idiopathic Scoliosis in Skeletally Immature Patients (2016)

4.
Orally‐delivered, tetrahydrobiopterin‐containing nanoparticles targeting gastrointestinal lymphatics modulate nitric oxide synthesis by aortic endothelial cells (666.4) (2014)

A deficiency of tetrahydrobiopterin (BH4), a critical cofactor for endothelial cell (EC) nitric oxide (NO) synthase, may be a common basis for vascular dysfunction in many diseases. Our goal was to modulate BH4 levels in ECs to increase NO bioavailability and improve vascular function in diabetes. We previously showed that BH4 encapsulated in poly(D,L‐lactide‐co‐glycolide) nanoparticles (NPs) and injected i.v. significantly improved vascular function in diabetic rats. In the current study, we synthesized solid lipid NPs (SLNPs) containing BH4. Our objective was to deliver BH4 to the systemic circulation via uptake and transit of SLNPs by the gastrointestinal lymphatics. SLNPs were administered via oral gavage once per day for 2 days (SLNPs) and endothelium‐dependent vessel relaxation assessed 24 hours later by measuring the response to increasing concentrations of acetylcholine. BH4 levels were determined using a reversed phase high‐performance liquid chromatography method. BH4‐loaded SLNPs taken up by cultured ECs increased cellular BH4 levels significantly, compared to vehicle/control NPs. Importantly, BH4‐loaded SLNPs increased vasodilatory responses of aortic rings taken from gavaged diabetic rats (maximal relaxation 75% vs. 55% in rats receiving control NPs). These data support the feasibility of oral NPs to deliver therapeutic agents to ECs in the general circulation via the lymphatic system. Grant Funding Source : Supported by AHA 11GRNT7930004 and NIH HL093689
Spectroscopic Analysis of Southern Pine Treated with Chromater Copper Arsenate. I. X-Ray Photoelectron Spectroscopy (XPS)-17 (1988)

Abstract The amount of southern pine lumber treated with chromated copper arsenate annually is considerable, yet the association of this preservative with the wood structure is not clear. The current study was undertaken to elucidate the nature of chemical reactions occurring between the components of the treating solution and the constituents of wood. Small, clear Southern pine samples were treated with six different preservative solutions (Cr; Cr/Cu; Cr/As; CCA-A; CCA-B; CCA-C), at 6.4 and 40 Kg/m3 (0.4 and 2.5 pcf) retentions, and compared to water treated and untreated controls. Samples were dried following treatment and analyzed by X-ray photoelectron spectroscopy (XPS). Evaluation of XPS data indicated that the preservative components reacted with wood, through aromatic and possibly alkene substitution, while oxidation of hydroxyl groups was not detected. The proposed wood/CCA bonding also offers an explanation for differences in hardwood and softwood durability following treatment.
Tear Cathepsin S as a Candidate Biomarker for Sjögren's Syndrome (2014)

Markedly high levels of tear CTSS activity are suggestive of SS. CTSS activity in tears can be measured in a simple, quick, economical, and noninvasive manner and may serve as a novel biomarker for autoimmune dacryoadenitis during the diagnostic evaluation for SS.
Bile acids and acetaminophen protein adducts in children with acetaminophen overdose (653.1) (2014)

Disruption of bile acid transport is a recognized mechanism of drug induced liver injury. The relationship of circulating bile acids to acetaminophen protein adducts and to alanine aminotransferase (ALT) levels was examined in healthy controls and children hospitalized for acetaminophen overdose. Mean (range) peak values of ALT and adducts for controls (23) and overdose (64) were ALT: 18 (10‐37 IU/L) vs. 626 (8‐9909 IU/L) and adducts: 0.01 (0‐0.01 nmol/mL) vs. 0.72 (0.03‐7.92 nmol/mL). Mean (range) time to treatment with N‐acetylcysteine for overdose subjects was 15 (1‐85 h). Targeted analysis of nine bile acids using UPLC/TQ‐MS showed that Glycocholic Acid (GCA), Glycodeoxycholic Acid (GDCA), and Taurodeoxycholic Acid (TDCA) were higher in children with APAP overdose (p&lt;0.001) compared to controls. ROC analysis of bile acids showed that GDCA was the best discriminator of APAP overdose (ROC AUC=0.861 [95% CI: 0.758 ‐ 0.964] compared to controls). GDCA &gt; 0.364 uM distinguished APAP overdose from controls (sensitivity 93.8%, specificity 68.4%). Comparison of time to achieve peak values was examined for adducts, bile acids and ALT. Adducts peaked prior to ALT (p=0.057) and bile acids (p&lt;0.001) and ALT peaked prior to GDCA and TDCA (p=0.001). Bile acids are increased in children with APAP overdose compared to controls and GDCA is the best predictor of APAP overdose among the bile acids examined.
Band-edge lasing in gold-clad photonic-crystal membranes (2005)

We investigate the possibility to achieve band-edge lasing in optically thick gold-clad photonic-crystal (PhC) membranes, with a dielectric thickness of around 1 /spl mu/m. We have performed a two-dimensional eigenmode-expansion analysis of band-edge resonators in one-dimensional PhCs. Material thresholds, quality factors, and emission efficiencies have been calculated for TE band-edge laser resonances on the second and third /spl Gamma/-point. The second /spl Gamma/-point sustains band-edge laser modes with quality factors above 2500 for a membrane thickness of 1 /spl mu/m and a cavity length of 20 periods, however, with a very poor surface-emission efficiency. Band-edge laser modes located on the third /spl Gamma/-point have lower quality factors but higher surface-emission efficiencies. In both cases, the PhC should be designed specifically to avoid coupling with lossy, higher order modes.
Plasmodium falciparum subtilisin‐like ookinete protein SOPT plays an important and conserved role during ookinete infection of the Anopheles stephensi midgut (2018)

Transmission of the malaria parasite Plasmodium falciparum involves infection of Anopheles mosquitoes. Here we characterize SOPT, a protein expressed in P. falciparum ookinetes that facilitates infection of the mosquito midgut. SOPT was identified on the basis that it contains a signal peptide, a PEXEL-like sequence and is expressed in asexual, ookinete and sporozoite stages, suggesting it is involved in infecting the human or mosquito host. SOPT is predicted to contain a subtilisin-like fold with a non-canonical catalytic triad and is orthologous to P. berghei PIMMS2. Localization studies reveal that SOPT is not exported to the erythrocyte but is expressed in ookinetes at the parasite periphery. SOPT-deficient parasites develop normally through the asexual and sexual stages and produce equivalent numbers of ookinetes to NF54 controls, however, they form fewer oocysts and sporozoites in mosquitoes. SOPT-deficient parasites were also unable to activate the immune-responsive midgut invasion marker SRPN6 after mosquito ingestion, suggesting they are defective for entry into the midgut. Disruption of SOPT in P. berghei (PIMMS2) did not affect other lifecycle stages or ookinete development but again resulted in fewer oocysts and sporozoites in mosquitoes. Collectively, this study shows that SOPT/PIMMS2 plays a conserved role in ookinetes of different Plasmodium species.
Network-Coded Multiple Access with High-order Modulations (2015)

This paper presents the first network-coded multiple access (NCMA) system prototype operated on high-order modulations up to 16-QAM. NCMA jointly exploits physical-layer network coding (PNC) and multiuser decoding (MUD) to boost throughput of multipacket reception systems. Direct generalization of the existing NCMA decoding algorithm, originally designed for BPSK, to high-order modulations, will lead to huge performance degradation. The throughput degradation is caused by the relative phase offset between received signals from different nodes. To circumvent the phase offset problem, this paper investigates an NCMA system with multiple receive antennas at the access point (AP), referred to as MIMO-NCMA. We put forth a low-complexity symbol-level NCMA decoder that, together with MIMO, can substantially alleviate the performance degradation induced by relative phase offset. To demonstrate the feasibility and advantage of MIMO-NCMA for high-order modulations, we implemented our designs on software-defined radio. Our experimental results show that the throughput of QPSK MIMO-NCMA is double that of both BPSK NCMA and QPSK MUD at SNR=10dB. For higher SNRs at which 16-QAM can be supported, the throughput of MIMO-NCMA can be as high as 3.5 times that of BPSK NCMA. Overall, this paper provides an implementable framework for high-order modulated NCMA.
Waveform over fiber: DSP-aided coherent fiber-wireless transmission using millimeter and terahertz waves (2015)

In this paper, we describe seamless networks based on millimeter and terahertz wave radio links using waveform transfer over optical fibers. Coherent optical transceivers with digital signal processing provide transmission impairment compensation in both optical and radio sections, where devices for the signal processing are implemented at edges of the links. Waveforms, which include the modulation formats, the symbol rates, etc., are maintained in the entire links, to reduce transmission latency and energy consumption in the network.
Dielectric characteristics of spin-coated dielectric films using on-wafer parallel-plate capacitors at microwave frequencies (2005)

Dielectric properties of spin-coated dielectric insulators suitable for high-speed device fabrication are investigated. Complex dielectric permittivities and tangential losses of two polyimides, bisbenzocyclobutene (BCB), and a spin-on-glass (SOG) were extracted from the measured microwave reflection coefficient, S/sub 11/, of parallel-plate capacitors over a frequency range of 50 MHz to 40 GHz. A model for the dielectric permittivity as a function of frequency is developed based on measured data with a minimum square error of less than 10/sup -4/ between measured and modeled microwave reflection coefficients. A circuit model for the pad capacitance is obtained based on geometrical and physical considerations. The relationship between the dielectric loss and its thickness is considered. Experimental results are fitted to Debye and Cole-Cole models.
Hand and Body Blockage Measurements with Form-Factor User Equipment at 28 GHz (2019)

Blockage by the human hand/body is an important impairment in realizing practical millimeter wave wireless systems. Prior works on blockage modeling are either based on theoretical studies of double knife edge diffraction or its modifications, high-frequency simulations of electromagnetic effects, or measurements with experimental millimeter wave prototypes. While such studies are useful, they do not capture the form-factor constraints of user equipments (UEs). In this work, we study the impact of hand/body blockage with a UE at $28$ GHz built on Qualcomm's millimeter wave modem, antenna modules and beamforming solutions. We report five exhaustive and controlled studies with different types of hand holdings/grips, antenna types, and with directional/narrow beams. For both hard as well as loose hand grips, we report considerably lower blockage loss estimates than prior works. Critical in estimating the loss is the definition of a "region of interest" (RoI) around the UE where the impact of the hand/body is seen. Towards this goal, we define a RoI that includes the spatial area where significant energy is seen in either the no blockage or blockage modes. Our studies show that significant spatial area coverage improvement can be seen with loose hand grip due to hand reflections.
Characteristics of optical guided modes in multilayer metal-clad planar optical guide with low-index dielectric buffer layer (1975)

The attenuation characteristics of a multilayer metal-clad optical guide, which is suitable for a mode filter or electrooptic devices, is investigated by the exact theory and the analytical approximation based on a perturbation technique. By using this approximation the dependences of the ohmic loss on the various waveguide parameters and the condition for the absorption peak of the TM mode are derived in closed form. Some remarks concerning the waveguide material and dimension for the design of the mode filter are also presented. The insertion loss at the abrupt junction between a normal (dielectric-clad) optical guide region and a metal-clad optical guide region is treated. Also the transformation of optical guided modes in the two kinds of tapered structures between the above two regions is examined.
Safe Reinforcement Learning Using Robust Action Governor (2021)

Reinforcement Learning (RL) is essentially a trial-and-error learning procedure which may cause unsafe behavior during the exploration-and-exploitation process. This hinders the application of RL to real-world control problems, especially to those for safety-critical systems. In this paper, we introduce a framework for safe RL that is based on integration of a RL algorithm with an add-on safety supervision module, called the Robust Action Governor (RAG), which exploits set-theoretic techniques and online optimization to manage safety-related requirements during learning. We illustrate this proposed safe RL framework through an application to automotive adaptive cruise control.
Turmeric Sesquiterpenoids: Expeditious Resolution, Comparative Bioactivity, and a New Bicyclic Turmeronoid (2016)

An expeditious strategy to resolve turmerone, the lipophilic anti-inflammatory principle of turmeric (Curcuma longa), into its individual bisabolane constituents (ar-, α-, and β-turmerones, 2-4, respectively) was developed. The comparative evaluation of these compounds against a series of anti-inflammatory targets (NF-κB, STAT3, Nrf2, HIF-1α) evidenced surprising differences, providing a possible explanation for the contrasting data on the activity of turmeric oil. Differences were also evidenced in the profile of more polar bisabolanes between the Indian and the Javanese samples used to obtain turmerone, and a novel hydroxylated bicyclobisabolane ketol (bicycloturmeronol, 8) was obtained from a Javanese sample of turmeric. Taken together, these data support the view that bisabolane sesquiterpenes represent an important taxonomic marker for turmeric and an interesting class of anti-inflammatory agents, whose strict structure-activity relationships are worth a systematic evaluation.