gebhart/patrepeval huggingface dataset:
Development of 177Lu-scFvD2B as a Potential Immunotheranostic Agent for Tumors Overexpressing the Prostate Specific Membrane Antigen (2020)

The clinical translation of theranostic <sup>177</sup>Lu-radiopharmaceuticals based on inhibitors of the prostate-specific membrane antigen (PSMA) has demonstrated positive clinical responses in patients with advanced prostate cancer (PCa). However, challenges still remain, particularly regarding their pharmacokinetic and dosimetric properties. We developed a potential PSMA-immunotheranostic agent by conjugation of a single-chain variable fragment of the IgGD2B antibody (scFvD2B) to DOTA, to obtain a <sup>177</sup>Lu-labelled agent with a better pharmacokinetic profile than those previously reported. The labelled conjugated <sup>177</sup>Lu-scFvD2B was obtained in high yield and stability. In vitro, <sup>177</sup>Lu-scFvD2B disclosed a higher binding and internalization in LNCaP (PSMA-positive) compared to PC3 (negative control) human PCa cells. In vivo studies in healthy nude mice revealed that <sup>177</sup>Lu-scFvD2B present a favorable biokinetic profile, characterized by a rapid clearance from non-target tissues and minimal liver accumulation, but a slow wash-out from kidneys. Micro-SPECT/CT imaging of mice bearing pulmonary microtumors evidenced a slow uptake by LNCaP tumors, which steadily rose up to a maximum value of 3.6 SUV at 192 h. This high and prolonged tumor uptake suggests that <sup>177</sup>Lu-scFvD2B has great potential in delivering ablative radiation doses to PSMA-expressing tumors, and warrants further studies to evaluate its preclinical therapeutic efficacy.
Negative Electrodes for Li-Ion Batteries (2001)

Graphitized carbons have played a key role in the successful commercialization of Li-ion batteries. The physicochemical properties of carbon cover a wide range; therefore identifying the optimum active electrode material can be time consuming. The significant physical properties of negative electrodes for Li-ion batteries are summarized, and the relationship of these properties to their electrochemical performance in nonaqueous electrolytes, are discussed in this paper.
Admission Control based Traffic-Agnostic Delay-Constrained Random Access\n (AC/DC-RA) for M2M Communication (2019)

The problem of wireless M2M communication is twofold: the reliability aspect\nand the scalability aspect. The solution of this problem demands a delay\nconstrained random access protocol. To this end we propose Admission Control\nbased Traffic Agnostic Delay Constrained Random Access (AC/DC-RA) protocol. Our\nmain contribution is enabling the stochastic delay constraints agnostic to the\ntraffic, such that the stochastic delay constraint is valid with respect to\nvarying number of arrivals. We achieve this with an admission control decision\nthat uses a novel collision estimation algorithm for active number of arrivals\nper contention resource. We use an adaptive contention resolution algorithm to\nreact to the varying number of arrivals. Using these tools, the admission\ncontrol solves the stability problem. We show with simulations that AC/DC-RA\nprovide stochastic delay constrained random access in a traffic agnostic way to\nsustain a stable performance against Poisson and Beta arrivals without any\nmodification to the protocol.\n
Cavity QED in a molecular ion trap (2009)

We propose an approach for studying quantum information and performing high resolution spectroscopy of rotational states of trapped molecular ions using an on-chip superconducting microwave resonator. Molecular ions have several advantages over neutral molecules. Ions can be loaded into deep (1 eV) RF traps and are trapped independent of the electric dipole moment of their rotational transition. Their charge protects them from motional dephasing and prevents collisional loss, allowing 1 s coherence times when used as a quantum memory, with detection of single molecules possible in &lt;10 ms. An analysis of the detection efficiency and coherence properties of the molecules is presented.
ChemInform Abstract: Stereocontrolled Synthesis of the Everninomicin A1B(A)C Ring Framework. (1998)

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.
Expression Analysis of LEDGF/p75, APOBEC3G, TRIM5alpha, and Tetherin in a Senegalese Cohort of HIV-1-Exposed Seronegative Individuals (2012)

Our data suggest that reduced LEDGF/p75 levels may play a role in resistance to HIV-1 infection, while increased tetherin levels could be a marker of advanced HIV disease. Host factors that influence HIV-1 infection and disease could be important targets for new antiviral therapies.
Electrolytic Synthesis of Peroxyacetic Acid Using In Situ Generated Hydrogen Peroxide on Gas Diffusion Electrodes (2004)

An electrochemical method for the preparation of peroxyacetic acid (PAA) using in situ generated hydrogen peroxide on the gas diffusion electrode (GDE) as an oxygen cathode has been described. Effects of several experimental conditions, such as current density, oxygen feed rate, electrolyte concentration, electrolytic cell configuration, flow rate of electrolyte solution, and Pt catalyst incorporated into GDE upon the cathodic reaction of oxygen to hydrogen peroxide as well as the production of PAA solution, have been investigated. Hydrogen peroxide is electrogenerated by the reduction of oxygen on the GDE and the generated hydrogen peroxide can undergo a chemical reaction with acetic acid in the presence of solid superacid, Nafion-H as a catalyst to produce PAA. It is also suggested that the formation of PAA is initiated by the active oxygen, electrogenerated on the cathode surface. The current efficiency for the production of PAA was found to be 28% at a current density of 1 A/dm2 and electrolyte flow rate of 160 mL/h. A probable reaction mechanism for the formation of PAA is proposed. © 2004 The Electrochemical Society. All rights reserved.
Elements of OFDMA (2013)

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Computerized assessment of human neurotoxicity: Sensitivity to nitrous oxide exposure (1985)

We recently developed a flexible, portable, computer-based neurobehavioral evaluation system (NES) to standardize data collection in epidemiologic field studies of individuals at risk for neurobehavioral toxicity. The current study was performed to examine the system's sensitivity to subtle neurobehavioral impairment induced pharmacologically in normal subjects. Twelve men 18 to 36 years old were tested with the NES three times, in an initial training session followed by separate drug and control sessions in randomized order. During drug sessions subjects received a combination of 20% nitrous oxide and 80% oxygen through a nasal mask. In control sessions subjects received 100% oxygen. Nine NES tests evaluating psychomotor performance, visuospatial ability, memory, and mood were administered in approximately 40 minutes. Nitrous oxide exposure impaired performance on three tests: continuous performance, symbol-digit substitution, and finger tapping. Another test, pattern memory, showed a trend toward impairment, while the remainder were not affected by the drug. These data are consistent with previous reports that the threshold effect of nitrous oxide is a decrement in psychomotor speed. The findings indicate that our NES is sensitive to short-term impairment in central nervous system function of the type induced by a number of neuroactive agents. In view of its efficiency in data acquisition and analysis, computerized neurobehavioral testing appears to be a very promising method for evaluation of effects of a wide range of pharmacologic agents.
Electrochemically Modulated Preconcentration and Matrix Elimination for Organic Analytes Coupled On-Line with Electrospray Mass Spectrometry (2000)

Demonstrated for the first time is the use of electrochemically modulated preconcentration and sample matrix elimination combined on-line with electrospray mass spectrometry (EMPM/ES-MS) for the enhanced analysis of organics by ES-MS. EMPM is similar to adsorptive stripping analysis. Accumulation of the targeted analytes at the working electrode of an on-line electrochemical flow cell is accomplished via a nonelectrolytic adsorption process that is controlled through the proper combination of the solvent system, the working electrode material, and applied potential. Once on the electrode, the analyte may be washed free of sample matrix components detrimental to mass spectrometric detection. The potential applied to the electrode during the detection step is chosen to release or strip the analytes unaltered back into the solvent stream for mass spectrometric detection rather than to oxidize or reduce them as would be the case for electrochemical detection. Thus, retention and elution of a target analyte with EMPM are controlled by switching the working electrode potential, rather than via a switch in mobile-phase composition, as is done in more traditional preconcentration and cleanup schemes used on-line with ES-MS. The proof-of-principle studies described here use the breast cancer drug tamoxifen and a metabolite, 4-hydroxytamoxifen, as the target analytes. A thin-layer, flow-by electrode cell with a glassy carbon working electrode is used as the preconcentration device. The nature of the working electrode, the solvent systems, and the electrode potentials necessary to accumulate and strip tamoxifen and 4-hydroxytamoxifen are discussed. Calibration curves were fitted using the Langmuir isotherm. Detection limits (DLs) using a 5.0 min preconcentration period with selected reaction monitoring for tamoxifen (m/z 372 --> 72) were bracketed as 0.010 nM < DL < 0.025 nM. The ability to simultaneously detect low nanomolar levels of both tamoxifen and 4-hydroxytamoxifen in pristine solution and 1/10 diluted urine is also demonstrated.
Structural and Epimeric Isomers of HPPH [3-Devinyl 3-{1-(1-hexyloxy) ethyl}pyropheophorbide-a]: Effects on Uptake and Photodynamic Therapy of Cancer (2017)

The tetrapyrrole structure of porphyrins used as photosentizing agents is thought to determine uptake and retention by malignant epithelial cancer cells. To assess the contribution of the oxidized state of individual rings to these cellular processes, bacteriochlorophyll a was converted into the ring "D" reduced 3-devinyl-3-[1-(1-hexyloxy)ethyl]pyropheophorbide-a (HPPH) and the corresponding ring "B" reduced isomer (iso-HPPH). The carboxylic acid analogs of both ring "B" and ring "D" reduced isomers showed several-fold higher accumulation into the mitochondria and endoplasmic reticulum by primary culture of human lung and head and neck cancer cells than the corresponding methyl ester analogs that localize primarily to granular vesicles and to a lesser extent to mitochondria. However, long-term cellular retention of these compounds exhibited an inverse relationship with tumor cells generally retaining better the methyl-ester derivatives. In vivo distribution and tumor uptake was evaluated in the isogenic model of BALB/c mice bearing Colon26 tumors using the respective <sup>14</sup>C-labeled analogs. Both carboxylic acid derivatives demonstrated similar intracellular localization and long-term tumor cure with no significant skin phototoxicity. PDT-mediated tumor action involved vascular damage, which was confirmed by a reduction in blood flow and immunohistochemical assessment of damage to the vascular endothelium. The HPPH stereoisomers (epimers) showed identical uptake (in vitro & in vivo), intracellular retention and photoreaction.
Optimal strategies for stochastic linear quadratic differential games with costly information (2016)

A two players stochastic differential game is considered with a given cost function. The players engage in a non-cooperative game where one tries to minimize and the other tries to maximize the cost. The players are given a dynamical system and their actions serve as the control inputs to the dynamical system. Their job is to control the state of this dynamical system to optimize the given objective function. We use the term “state of the game” to describe the state of this dynamical system. The challenge is that none of the players has access to the state of the game for all time, rather they can access the state intermittently and only after paying some information cost. Thus the cost structure is non-classical for a linear-quadratic game and it incorporates the value of information. We provide the Nash equilibrium strategy for the players under full state information access at no cost, as well as under costly state information access. The optimal instances for accessing the state information are also explicitly computed for the players.
Structural Basis of the Antiproliferative Activity of Largazole, a Depsipeptide Inhibitor of the Histone Deacetylases (2011)

Largazole is a macrocyclic depsipeptide originally isolated from the marine cyanobacterium Symploca sp., which is indigenous to the warm, blue-green waters of Key Largo, Florida (whence largazole derives its name). Largazole contains an unusual thiazoline-thiazole ring system that rigidifies its macrocyclic skeleton, and it also contains a lipophilic thioester side chain. Hydrolysis of the thioester in vivo yields largazole thiol, which exhibits remarkable antiproliferative effects and is believed to be the most potent inhibitor of the metal-dependent histone deacetylases (HDACs). Here, the 2.14 Å-resolution crystal structure of the HDAC8-largazole thiol complex is the first of an HDAC complexed with a macrocyclic inhibitor and reveals that ideal thiolate-zinc coordination geometry is the key chemical feature responsible for its exceptional affinity and biological activity. Notably, the core structure of largazole is conserved in romidepsin, a depsipeptide natural product formulated as the drug Istodax recently approved for cancer chemotherapy. Accordingly, the structure of the HDAC8-largazole thiol complex is the first to illustrate the mode of action of a new class of therapeutically important HDAC inhibitors.
Hydrogen- and Halogen-Bonded Binary Cocrystals with Ditopic Components: Systematic Structural and Photoreactivity Properties That Provide Access to a Completed Series of Symmetrical Cyclobutanes (2020)

A series of binary cocrystals involving the ditopic hydrogen- and halogen-bond (H- and X-bond, respectively) donors resorcinol (res) and hydroquinone (hq), and 1,3- and 1,4-diiodotetrafluorobenzene (1,3- and 1,4-di-I-tFb), respectively, cocrystallized with one of the three symmetric bipyridines trans-1,2-bis(n-pyridyl)ethylene (n,n′-bpe, where n = n′ = 2, 3, 4) is reported. The structures of the six novel cocrystals, (1,3-di-I-tFb)·(3,3′-bpe), 4(res)·3(3,3′-bpe), (1,3-di-I-tFb)·(4,4′-bpe), 3(hq)·2(2,2′-bpe), (1,4-di-I-tFb)·(3,3′-bpe), and (hq)·(3,3′-bpe), are described. The cocrystals comprise components that assemble by either O–H···N and O–H···O H-bonds (res and hq) or N···I X-bonds (1,3- and 1,4-di-I-tFb). The work completes a series of 18 cocrystals involving either the three dihydroxybenzenes catechol (cat), res, and hq or the three diiodotetrafluorobenzenes (1,2-, 1,3-, and 1,4-di-I-tFb) as H- or X-bond donors, respectively, with each of the three structurally isomeric symmetric bipyridines n,n′-bpe. Our study demonstrates the significant consequences that minimally subtle variations to molecular structure of coformers can have for stoichiometric formulations, molecular packing, and solid-state photoreactivity. The work also provides access to a completed series of symmetrically substituted rctt-tetrakis(n-pyridyl)cyclobutanes (where: n = 2, 3, or 4).
Optical Activity of Chiral Dendritic Surfaces (1995)

The optical rotation of poly(propylene imine) dendrimers with 64 identical enantiomerically pure amino acid end groups tends to zero. This remarkable behavior results from the packing of the end groups in the highly dense, multiply hydrogenbonded surface, which gives rise to different frozen‐in conformations, leading to an internal compensation of optical activity.
A Robust Event-Based Continuous Time Formulation for Tank Transfer Scheduling (2007)

A generalized model is proposed for the continuous time scheduling problem of fluid transfer in tanks. This model generally and more robustly handles the synchronization of time events with material balances than previous proposed models in the literature. A novel method for representing the flow to and from a tank is developed with the potential for significant reduction in the number of necessary time events required for continuous time scheduling formulations. The problem involves the optimal operation of fluid transfer from input sources to tanks, transfer between the tanks, and the transfer from tanks to output destinations. An efficient mixed-integer nonlinear programming formulation is developed based on continuous representation of time domain under the assumption of no simultaneous input and output flow to a tank for fluid streams comprised of multiple components. The new modeling paradigm is applied to examples from the literature for developing refinery crude unit charging schedules.
Impact of three-dimensional geometry on the performance of isolated electron-injection infrared detectors (2015)

We present a quantitative study of the influence of three-dimensional geometry of the isolated electron–injection detectors on their characteristics. Significant improvements in the device performance are obtained as a result of scaling the injector diameter with respect to the trapping/absorbing layer diameters. Devices with about ten times smaller injector area with respect to the trapping/absorbing layer areas show more than an order of magnitude lower dark current, as well as an order of magnitude higher optical gain compared with devices of same size injector and trapping/absorbing layer areas. Devices with 10 μm injector diameter and 30 μm trapping/absorbing layer diameter show an optical gain of ∼2000 at bias voltage of −3 V with a cutoff wavelength of 1700 nm. Analytical expressions are derived for the electron-injection detector optical gain to qualitatively explain the significance of scaling the injector with respect to the absorber.
Extracellular Endosulfatases (Sulfs) Inhibit Myeloma Tumor Growth In Vivo. (2005)

Abstract Human sulfatases Hsulf-1 and Hsulf-2 are extracellular endosulfatases that specifically remove 6-O sulfates from heparan sulfate chains. Published studies have shown that expression of Hsulf-1 in some tumor cell lines diminishes their response to heparin-binding growth factors (e.g., FGF-2, HGF) leading to speculation that these enzymes may regulate tumor growth. To examine this possibility in vivo, the cDNA for either Hsulf-1 or Hsulf-2 was expressed in the human myeloma cell line CAG. Disaccharide composition analysis of heparan sulfate chains isolated from the surface of the transfected cells reveals that 6-O sulfation of trisulfated disaccharides is diminished by 70% and 50% on cells expressing Hsulf-1 and Hsulf-2, respectively, as compared to control cells transfected with empty vector only. When stimulated with exogenous FGF-2, downstream signaling as measured by the level of phosphorylated ERK1/2, is reduced in HSulf-1 or Hsulf-2 transfectants as compared to controls. To determine if Hsulf-1 and Hsulf-2 regulate myeloma tumor cell growth in vivo, cells were injected subcutaneously into the left flank of SCID mice. Monitoring of whole animal tumor burden by analysis of human kappa light chain present in the serum revealed that tumors formed from cells expressing either Hsulf-1 or Hsulf-2 exhibited a dramatic inhibition of tumor growth as compared to tumors formed from control cells (p&amp;lt;0.0004). Upon sacrifice, mean weights of primary tumors were 0.46 g (n=12), 0.18 g (n=17) and 2.44 g (n=16) for Hsulf-1, Hsulf-2 and control tumors, respectively (p&amp;lt;0.0001). To confirm that the endosulfatase enzymes were active in vivo, assembly of the FGF-2 ternary signaling complex (FGF-2/heparan sulfate/FGF Receptor 1) was analyzed on frozen tissue sections of the tumors. Incorporation of the FGFR1 into the complex requires the presence of 6-O sulfate groups in the endogenous heparan sulfate chains. Experiments show that FGF-2 binds equally well to the heparan sulfate present in all tumors, but the FGFR1 is not incorporated into the complex on tumors expressing either Hsulf-1 or Hsulf-2. This indicates that the Sulfs are active in vivo and that this activity alters heparin-binding growth factor signaling of the tumor cells. Additionally, we find that the elevation of Sulf expression causes a marked increase in extracellular matrix (ECM) deposition within tumors which may, along with attenuated growth factor signaling, contribute to the reduction in tumor growth. These studies indicate that dynamic regulation of heparan sulfate structure by Sulfs present within the tumor microenvironment can have a dramatic impact on the growth and progression of myeloma tumors in vivo.
Alginate‐coated magnetic nanoparticles for noninvasive MRI of extracellular calcium (2014)

Nanoparticles (NPs) have great potential to increase the diagnostic capacity of many imaging modalities. MRI is currently regarded as the method of choice for the imaging of deep tissues, and metal ions, such as calcium ions (Ca(2+)), are essential ingredients for life. Despite the tremendous importance of Ca(2+) for the well-being of living systems, the noninvasive determination of the changes in Ca(2+) levels in general, and extracellular Ca(2+) levels in particular, in deep tissues remains a challenge. Here, we describe the preparation and contrast mechanism of a flexible easy to prepare and selective superparamagnetic iron oxide (SPIO) NPs for the noninvasive determination of changes in extracellular Ca(2+) levels using conventional MRI. We show that SPIO NPs coated with monodisperse and purified alginate, having a specific molecular weight, provide a tool to selectively determine Ca(2+) concentrations in the range of 250 µm to 2.5 mm, even in the presence of competitive ions. The alginate-coated magnetic NPs (MNPs) aggregate in the presence of Ca(2+) , which, in turn, affects the T2 relaxation of the water protons in their vicinity. The new alginate-coated SPIO NP formulations, which have no effect on cell viability for 24 h, allow the detection of Ca(2+) levels secreted from ischemic cell cultures and the qualitative examination of the change in extracellular Ca(2+) levels in vivo. These results demonstrate that alginate-coated MNPs can be used, at least qualitatively, as a platform for the noninvasive MRI determination of extracellular Ca(2+) levels in myriad in vitro and in vivo biomedical applications.