gebhart/patrepeval huggingface dataset:
Iterative Tandem Catalysis of Secondary Diols and Diesters to Chiral Polyesters (2007)

The well-known dynamic kinetic resolution of secondary alcohols and esters was extended to secondary diols and diesters to afford chiral polyesters. This process is an example of iterative tandem catalysis (ITC), a polymerization method where the concurrent action of two fundamentally different catalysts is required to achieve chain growth. In order to procure chiral polyesters of high enantiomeric excess value (ee) and good molecular weight, the catalysts employed need to be complementary and compatible during the polymerization reaction. We here show that Shvo's catalyst and Novozym 435 fulfil these requirements. The optimal polymerization conditions of 1,1'-(1,3-phenylene) diethanol (1,3-diol) and diisopropyl adipate required 2 mol% Shvo's catalyst and 12 mg Novozym 435 per mmol alcohol group in the presence of 0.5 M 2,4-dimethyl-3-pentanol as the hydrogen donor. With these conditions, chiral polyesters were obtained with peak molecular weights up to 15 kDa, an ee value up to 99% and with 1-3 % ketone end groups. Also with the structural isomer, 1,4-diol, a chiral polyester was obtained, albeit with lower molecular weight (8.3 kDa) and slightly lower ee (94%). Aliphatic secondary diols also resulted in enantio-enriched polymers but at most an ee of 46 % was obtained with molecular weights in the range of 3.3-3.7 kDa. This low ee originates from the intrinsic low enantioselectivity of Novozym 435 for this type of secondary aliphatic diols. The results presented here show that ITC can be applied to procure chiral polyesters with good molecular weight and high ee from optically inactive AA-BB type monomers.
Molecular Modeling of the HIV-1 Protease and Its Substrate Binding Site (1989)

The human immunodeficiency virus (HIV-1) encodes a protease that is essential for viral replication and is a member of the aspartic protease family. The recently determined three-dimensional structure of the related protease from Rous sarcoma virus has been used to model the smaller HIV-1 dimer. The active site has been analyzed by comparison to the structure of the aspartic protease, rhizopuspepsin, complexed with a peptide inhibitor. The HIV-1 protease is predicted to interact with seven residues of the protein substrate. This information can be used to design protease inhibitors and possible antiviral drugs.
Mitragynine Reverses Paclitaxel Chemotherapy‐Induced Peripheral Neuropathy and is Mediated via Opioid Receptor Involvement (2022)

Chemotherapy‐induced peripheral neuropathy (CIPN) is a problematic side effect in patients receiving chemotherapeutic cancer treatments. Clinical use of approved analgesic drugs often does not adequately control the pathological pain arising from CIPN and does not account for potential abuse with opioid therapeutics. Mitragyna speciosa (kratom) contains the alkaloid mitragynine, which exhibits analgesic properties. However, the underlying pharmacological mechanisms that underlie these analgesic properties are complex and not completely understood. Male and female C57bl/6 mice received 8 mg/kg intraperitoneal injections of paclitaxel, a taxane class chemotherapeutic, every other day over the course of 7 days. To confirm the development of CIPN, the von Frey assay was utilized to determine the onset mechanical allodynia, which arises when a previously non‐painful stimulus is perceived as painful. Intraperitoneal mitragynine and the prototypical opioid agonist morphine both dose‐relatedly reversed CIPN‐induced mechanical allodynia. Effective doses (ED) 50 were as follows – morphine: 7.02 (6.56 – 7.51) mg/kg, mitragynine: 109.80 (104.27 – 115.62) mg/kg. Pretreatment with the opioid antagonist naltrexone 0.032 mg/kg, intraperitoneally produced a rightward shift in both morphine and mitragynine dose‐response curves. Effective doses (ED) 50 were as follows – naltrexone + morphine: 27.93 (24.84 – 31.40), naltrexone + mitragynine: 245.41 (211.76 – 284.39), resulting in a 3.98 and 2.24 fold shift of dose response curves, respectively. Here we show that mitragynine reverses mechanical allodynia associated with paclitaxel CIPN. We also show that opioid receptors mediate such activity, though additional data suggest a role for adrenergic and serotonin receptors as well. Mitragynine may be an effective analgesic treatment option for patients experiencing painful CIPN.
Core commitments for field trials of gene drive organisms (2020)

We must ensure that trials are scientifically, politically, and socially robust, publicly accountable, and widely transparent
Automatic Requirements Specification Extraction from Natural Language (ARSENAL) (2014)

Abstract : Natural language (supplemented with diagrams and some mathematical notations) is convenient for succinct communication of technical descriptions between the various stakeholders (e.g., customers, designers, implementers) involved in the design of software systems. However, natural language descriptions can be informal, incomplete, imprecise and ambiguous, and cannot be processed easily by design and analysis tools. Formal languages, on the other hand, formulate design requirements in a precise and unambiguous mathematical notation, but are more difficult to master and use. We propose a methodology for connecting semi-formal requirements with formal descriptions through an intermediate representation. We have implemented this methodology in a research prototype called Automatic Requirements Specification Extraction from Natural Language (ARSENAL). The main novelty of ARSENAL lies in its ability to generate a fully-specified complete formal model automatically from natural language requirements. ARSENAL extracts relations from text using semantic parsing and progressively refines them over multiple stages to create a final composite model. Currently, ARSENAL generates formal models in linear-time temporal logic (LTL), but the approach can be adapted for other models, e.g., probabilistic relational models like Markov Logic Networks (MLN). The formal models of the requirements can be used to check important design and system properties, e.g., consistency, satisfiability, realizability. ARSENAL has a modular and flexible architecture that facilitates porting it from one domain to another. We evaluated ARSENAL on complex requirements from two real-world case studies: the Time-Triggered Ethernet (TTEthernet) communication platform used in space, and FAA-Isolette infant incubators used in NICU. We systematically evaluated various aspects of ARSENAL -- the accuracy of the natural language processing stage, the degree of automation, and robustness to noise.
Tissue Factor Detection for Selectively Discriminating Unstable Plaques in an Atherosclerotic Rabbit Model (2010)

The TF-detecting ability and preferential accumulation in atheromatous lesions of (99m)Tc-TF-mAb were demonstrated, indicating its potential for selective imaging of macrophage-rich atheromatous lesions in vivo.
EFFECT OF ADRIAMYCIN-OXIDIZED DEXTRAN (ADM-OXD) ON SINUSOIDAL STRUCTURE (1994)

The effect of adriamycin-oxidized dextran (ADM-OXD) on sinusoidal structure was studied using male Wistar rats. Ultramorphological monitoring and biochemical monitoring were performed after massive administration of ADM-OXD at a dose of 60mg/kg. Destruction of sinusoidal structure followed by damage to hepatocytes was subsequently observed. As early as 12 to 24 hours after ADM-OXD administration, endothelial cells and Kupffer cells were found to be degenerative or necrotic under transmission electron microscopic observation, and a tendency to disintegrate was observed in the sinusoidal wall structure. Scanning electron microscopic observation at 24 hours after administration revealed the destruction of the fenestral structure of endothelial cells, while morphological necrosis of hepatocytes and pronounced elevation of serum transaminase activity were noted at 48 hours. Mild endotoxemia was induced from soon after drug injection. In connection with this, serum complement activity began to decrease and was found to have fallen markedly at 24 hours, indicating significant consumption of alternative complement elements. ADM-OXD-induced hepatic dysfunction was found to be exacerbated by treatment with extrinsic lipopolysaccharide (LPS) and abated by treatment with endotoxin neutralizing agent (polymyxin B). Complement activity inhibitor also significantly abated hepatotoxicity. In situ liver perfusion of nitro bule tetrazolium (NBT) revealed that ADM-OXD administration did not produce stimulation of Kupffer cells. Anti-TNF-a treatment was found to have no abating effect on ADM-OXD-induced hepatic dysfunction. Biochemically, complement activation through endotoxemia may be assumed to participate in inducing hepatocyte damage, while mor-phologically, it is likely that destruction of the sinusoidal wall structure effects the susceptibility of hepatocytes to extrinsic environmental change.
Structural Determinants for Transport across the Intestinal Bile Acid Transporter Using C-24 Bile Acid Conjugates (2010)

The human apical sodium dependent bile acid transporter (hASBT) reabsorbs gram quantities of bile acid daily and is a potential prodrug target to increase oral drug absorption. In the absence of a high resolution hASBT crystal structure, 3D-QSAR modeling may prove beneficial in designing prodrug targets to hASBT. The objective was to derive a conformationally sampled pharmacophore 3D-QSAR (CSP-SAR) model for the uptake of bile acid conjugates by hASBT. A series of bile acid conjugates of glutamyl chenodeoxycholate were evaluated in terms of K(m) and normalized V(max) (normV(max)) using hASBT-MDCK cells. All monoanionic conjugates were potent substrates. Dianions, cations and zwitterions, which bound with a high affinity, were not substrates. CSP-SAR models were derived using structural and physicochemical descriptors, and evaluated via cross validation. The best CSP-SAR model for K(m) included two structural and two physiochemical descriptors, where substrate hydrophobicity enhanced affinity. A best CSP-SAR model for K(m)/normV(max) employed one structural and three physicochemical descriptors, also indicating hydrophobicity enhanced efficiency. Overall, the bile acid C-24 region accommodated a range of substituted anilines, provided a single negative charge was present near C-24. In comparing uptake findings to prior inhibition results, increased hydrophobicity enhanced activity, with dianions and zwitterions hindering activity.
Responsive Nanoparticles to Enable a Focused Ultrasound-Stimulated Magnetic Resonance Imaging Spotlight (2021)

Magnetic resonance imaging (MRI)-guided high-intensity focused ultrasound (HIFU) has been applied as a therapeutic tool in the clinic, and enhanced MRI contrast for depiction of target tissues will improve the precision and applicability of HIFU therapy. This work presents a "spotlight MRI" contrast enhancement technique, which combines four essential components: periodic HIFU stimulation, strong modulation of T<sub>1</sub> caused by HIFU, rapid MRI signal collection, and spotlight MRI spectral signal processing. The T<sub>1</sub> modulation is enabled by a HIFU-responsive nanomaterial based on mesoporous silica nanoparticles with Pluronic polymers (Poloxamers) and MRI contrast agents attached. With periodic HIFU stimulation in a precisely defined region containing the nanomaterial, strong periodic MRI T<sub>1</sub>-weighted signal changes are generated. Rapid MRI signal collection of the periodic signal changes is realized by a rapid dynamic 3D MRI technique, and spotlight MRI spectral signal processing creates modulation enhancement maps (MEM) that suppress background signal and spotlight the spatial location with nanomaterials experiencing HIFU stimulation. In particular, a framework is presented to analyze the trade-offs between different parameter choices for the signal processing method. The optimal parameter choices under a specific experimental setting achieved MRI contrast enhancement of more than 2 orders of magnitude at the HIFU focal point, compared to controls.
Interacting Effects of Gravity and Size upon the Peak and Minimum Pool Boiling Heat Fluxes (1970)

Mathematical correlation of effects of gravity, size, boiled liquid, pressure, and configuration on peak and minimum boiling heat fluxes
New markets and new light-sources for projection (2008)

Projection systems have the unique advantage that they can produce large images from compact devices. The specialized UHP and Ujoy lamps enabled a tremendous progress towards compact and highly efficient systems. Beyond the existing markets of rear and professional front projection new applications are possible addressing personal projection and micro-projection. These new applications can profit from laser light sources. Today laser technology is still costly and complicated especially for green wavelengths. Several competing approaches for a green laser are reviewed and the basic requirements of a laser source for projection are described.
Analysis of different characteristics of smile (2020)

The smile characteristics should be considered before beginning the aesthetic treatment of the patient to obtain adequate results in oral rehabilitation.
Tissue Kallikrein in Rat Brain and Pituitary: Regional Distribution and Estrogen Induction in the Anterior Pituitary* (1987)

We have detected tissue kallikrein and kallikrein mRNA in various brain regions with a kallikrein direct RIA and with nucleic acid hybridization using a kallikrein cDNA probe. In the direct RIA, rat urinary kallikrein-like activity was found in the pituitary and pineal glands, hypothalamus, cerebral cortex, cerebellum, and brain stem. Pituitary and pineal gland kallikrein concentrations were significantly higher than those in other regions. Only in pituitary was there a significant difference in tissue kallikrein concentration according to sex, with glands from female rats showing levels 4-fold higher than those from male rats. Kallikrein mRNAs were detected in all of the regions and were about 4-fold higher in female than in male pituitary gland. Northern blot analyses show sex dimorphism of pituitary kallikrein mRNA, similar in size to submandibular gland and kidney mRNA. In castrated male rats, whole pituitary kallikrein content was reduced to 50% of the control value and increased 1.7-fold with testosterone replacement and 18-fold with 17 beta-estradiol treatment. Neither T4 nor cortisol affected whole pituitary kallikrein levels in the castrated male rat, but testosterone decreased pituitary kallikrein in normal female rats by 35%. When anterior pituitary or neurointermediate lobe extracts were separately examined, immunoreactive kallikrein was 10.2- and 1.3-fold higher respectively, in female than in male rat lobes. Estradiol benzoate (30 micrograms/kg) administration increased kallikrein levels 90- and 22-fold, respectively, in the anterior pituitary of gonadectomized male and female rats, while it increased by only 40-50% kallikrein levels in the male and female neurointermediate lobe. In dot blot analysis, kallikrein mRNA levels were increased 5-fold by 17 beta-estradiol in the whole pituitary of castrated male rats. In the cytoplasmic dot hybridization analysis, estradiol benzoate treatment increased kallikrein mRNA levels 54-fold in the anterior pituitary of ovariectomized rats. The data show that a tissue kallikrein indistinguishable thus far from a urinary kallikrein is widely distributed in brain and pituitary and that levels of enzyme and mRNA are comparable in certain central sites. Kallikrein levels in the anterior and neurointermediate pituitaries are differentially regulated by estrogen.
Radical trans‐Hydroboration of Alkynes with N‐Heterocyclic Carbene Boranes (2018)

Abstract Hydroboration of internal alkynes with N‐heterocyclic carbene boranes (NHC‐boranes) occurs to provide stable NHC ( E )‐alkenylboranes upon thermolysis in the presence of di‐ tert ‐butyl peroxide. The E isomer results from an unusual trans ‐hydroboration, and the E / Z selectivity is typically high (90:10 or greater). Evidence suggests that this hydroboration occurs by a radical‐chain reaction involving addition of an NHC‐boryl radical to an alkyne to give a β‐NHC‐borylalkenyl radical. Ensuing hydrogen abstraction from the starting NHC‐borane provides the product and returns the starting NHC‐boryl radical. Experiments suggest that the observed trans ‐selectivity results from kinetic control in the hydrogen‐transfer reaction.
Synthesis of spherical calcium phosphate particles for dental and orthopedic applications (2013)

Calcium phosphate materials have been used increasingly in the past 40 years as bone graft substitutes in the dental and orthopedic fields. Accordingly, numerous fabrication methods have been proposed and used. However, the controlled production of spherical calcium phosphate particles remains a challenge. Since such particles are essential for the synthesis of pastes and cements delivered into the host bone by minimally-invasive approaches, the aim of the present document is to review their synthesis and applications. For that purpose, production methods were classified according to the used reagents (solutions, slurries, pastes, powders), dispersion media (gas, liquid, solid), dispersion tools (nozzle, propeller, sieve, mold), particle diameters of the end product (from 10 nm to 10 mm), and calcium phosphate phases. Low-temperature calcium phosphates such as monetite, brushite or octacalcium phosphate, as well as high-temperature calcium phosphates, such as hydroxyapatite, β-tricalcium phosphate or tetracalcium phosphate, were considered. More than a dozen production methods and over hundred scientific publications were discussed.
Effects of Calcium-phosphate-based Materials on Proliferation and Alkaline Phosphatase Activity of Newborn Rat Periosteal Cells in vitro (1991)

The effects of dental materials, intended for bone substitution, on cell growth and alkaline phosphatase activity of newborn rat periosteal cells have been studied in vitro. Confluent periosteal cells were exposed to three apatite-based materials (400 micrograms/mL) with different physico-chemical properties. The materials were a beta-tricalcium phosphate with a microporous granular structure obtained by sinterization (Synthograft, Johnson & Johnson, East Windsor, NY), a 40-60-mesh microporous durapatite ceramic (Periograf, Sterling Drug, Inc., Rensselaer, NY), and a 1-2-mm-diameter hydroxyapatite ceramic (Osprovit, Feldmuhle Aktiengeselschaft, Plochingen, Germany) with macropores larger than 100 microns. Cell proliferation and alkaline phosphatase activity were assessed by incorporation of 3H-thymidine into trichloroacetic-acid-precipitable material and by a fluorimetric method, respectively. Cell viability and compatibility with the materials were determined by morphology in phase-contrast microscopy. Periosteal cells showed increased proliferation following exposure to Synthograft, but were unaffected by Osprovit, whereas Periograf caused significantly reduced cell growth. Alkaline phosphatase activity was unaffected by Osprovit, but was decreased by both Synthograft and Periograf. The results indicated a differential response of periosteal cells to bone-substituting materials with heterogeneous physico-chemical characteristics.
Integrated wide-angle scanner based on translating a curved mirror of acylindrical shape (2013)

A wide angle microscanning architecture is presented in which the angular deflection is achieved by displacing the principle axis of a curved silicon micromirror of acylindrical shape, with respect to the incident beam optical axis. The micromirror curvature is designed to overcome the possible deformation of the scanned beam spot size during scanning. In the presented architecture, the optical axis of the beam lays in-plane with respect to the substrate opening the door for a completely integrated and self-aligned miniaturized scanner. A micro-optical bench scanning device, based on translating a 200 μm focal length micromirror by an electrostatic comb-drive actuator, is implemented on a silicon chip. The microelectromechanical system has a resonance frequency of 329 Hz and a quality factor of 22. A single-mode optical fiber is used as the optical source and inserted into a micromachined groove fabricated and lithographically aligned with the microbench. Optical deflection angles up to 110 degrees are demonstrated.
A comparison between direct and indirect measurements of neurotransmitter vesicle release dynamics: A computational study (2014)

Presynaptic vesicular release of neurotransmitters is a stochastic process involving complex mechanisms triggered by an elevation of calcium concentration. The mechanisms behind neurotransmitters release play a critical role in synaptic function and plasticity. Understanding its properties, both in term of its dynamics and its underlying mechanisms, may therefore help further our understanding of synaptic plasticity. However, measuring vesicle release dynamics is experimentally challenging. One experimental protocol used to determine the dynamic properties of vesicle release is to measure postsynaptic current. However, this method inherently not only captures properties of the release itself, but also the contributions from the postsynaptic receptors. Here we propose to use a synapse simulation platform known as EONS/RHENOMS to capture the functional properties of vesicle release, separate from the dynamics known to be associated with postsynaptic receptors, and compare the results with those determined experimentally. We find that despite attempts to reduce interference of postsynaptic dynamics, the receptor channel properties, particularly desensitization, may influence the overall measured results significantly. Re-estimating release rate by taking into account the contributions of postsynaptic receptors may give further insight into release dynamics and further our overall understanding on synaptic plasticity.
Guidelines for Creating Generally Useful Authentication Mechanisms (GUAM) (2006)

Generic Security Services API (GSS-API), the Simple Authentication and
Security Layer (SASL), and the Extensible Authentication Protocol
(EAP) are three authentication and frameworks used within the IETF
that have similar goals. This document describes guidelines for
creating authentication mechanisms that are generally usable in any of
these frameworks.