gebhart/patrepeval huggingface dataset:
Molecular Exchange in Ordered Diblock Copolymer Micelles (2011)

Molecular exchange kinetics of diblock copolymers forming spherical micelles packed on a body-centered cubic (bcc) lattice were investigated using time-resolved small-angle neutron scattering (TR-SANS). Ordered arrays of polystyrene spheres were prepared by mixing 15 vol % poly(styrene-b-ethylene-alt-propylene) (PS−PEP) in squalane, a highly selective solvent for the PEP block. Two pairs of diblock copolymers were examined, characterized by two different PS core block molecular weights (⟨MPS⟩ = 26500 and 42800). Each pair contained two nearly identical diblock copolymers, one with a deuterated PS block (dPS−PEP) and the other with a protonated PS block (hPS−PEP). Protonated and deuterated squalane were blended to achieve a contrast-matched condition with uniformly mixed dPS and hPS (50/50 by volume) core chains. Beginning with a statistically random array of pure dPS and hPS cores distributed on the bcc lattice, molecular exchange was monitored at multiple temperatures by TR-SANS. Exchange of deuterated and protonated chains results in a decay in SANS intensity, which yields a kinetic function revealing a broad spectrum of relaxation times. These results are qualitatively consistent with our previously reported findings for molecular exchange between PS−PEP micelles in a dilute (1 vol %) squalane solution. However, the measured characteristic time constant for the concentrated, ordered system is more than an order of magnitude slower than in the dilute, disordered dispersion.
Zur Synthese von 1‐Oxo‐2‐alkyl‐1.2.3.5.6.7‐hexahydropyrrolo[3.4‐b]pyranen und ‐thiopyranen (1972)

Abstract Die 2‐Brommethyl‐3‐äthoxycarbonyl‐5.6‐dihydro‐4 H ‐pyrane und ‐thiopyrane 2 reagieren mit primären oder sekundären Aminen über die thermisch instabilen 2‐Alkylaminomethyl‐Produkte 4 unter Cyclisierung zu α,β‐ungesättigten γ‐Lactamen 5 . Die Strukturen werden durch NMR‐ und IR‐Spektren bewiesen.
In vivo assessment of adenoviral vector‐mediated gene expression of dopamine D2 receptors in the rat striatum by positron emission tomography (2001)

For functional assessment of gene therapy in experimental animals, in vivo assessment of transferred genes will provide a major advance over an in vitro analysis which must be done post-hoc. In the current study we conducted positron emission tomography (PET) analysis in rats following injection of the adenoviral vector encoding the cDNA for the rat dopamine D(2) receptors (D(2)R) (AdCMV.DopD(2)R) into rat brain to provide a quantitative evaluation of D(2)R overexpression. Quantitative measurements as well as images by PET and ex vivo autoradiography demonstrated the significant increase of D(2)R binding of [(11)C]raclopride, a specific D(2)R radioligand, in the AdCMV.DopD(2)R-injected rat striatum 2 or 3 days after vector injection. Longitudinal in vivo assessment of the gene expression by PET demonstrated decreased binding of [(11)C]raclopride with time, which was in agreement with the observation in a cross-sectional autoradiographic study. The results of the current study demonstrate that PET can be used for longitudinal in vivo assessment of D(2)R expression mediated by adenoviral vector in rat brain.
DIAPH1 Variants in Non–East Asian Patients With Sporadic Moyamoya Disease (2021)

These findings provide the largest collection to date of non-East Asian individuals with sporadic MMD harboring pathogenic variants in the same gene. The results suggest that DIAPH1 is a novel MMD risk gene and impaired vascular cell actin remodeling in MMD pathogenesis, with diagnostic and therapeutic ramifications.
Antioxidant and Chemopreventive Properties of Polyphenolic Compounds Derived from Greek Legume Plant Extracts (2008)

Recently, phytochemical compounds present in legumes have gained a lot of interest because they are considered to be possible chemopreventive agents. In the present study, 14 polyphenolic compounds were extracted and identified from two unique varieties of Leguminosae family plants cultivated in Greece and screened for their antioxidant and chemopreventive properties. Ten polyphenolic fractions, which are mainly mixtures of two compounds and five pure flavonoids, were isolated from the methanolic extracts of aerial plant parts of Vicia faba and Lotus edulis (Leguminosae), respectively. All of these fractions exhibited significant DPPH(*) radical scavenging capacity. Furthermore, they exerted significant protective activity against free radical-induced DNA damage. This activity was more potent against ROO(*) radical-induced DNA damage than against that induced by OH(*) radicals. Finally, they exhibited significant ability to inhibit the activity of the topoisomerase I enzyme. These results imply that the polyphenolic compounds identified in the fractions were responsible of the observed properties of the fractions and the initial extracts and indicate different mechanisms by which these phenolic compounds may act as chemopreventive agents.
RAPET (Reaction under Autogenic Pressure at Elevated Temperatures) Technique Assisted Synthesis of Encapsulated CdE@C [E= S, Se and Te] Nanocrystallites (2016)

We present an easy synthetic method for the fabrication of encapsulated nanosized semiconductor CdE [E [Formula: see text] S, Se and Te] within the core of carbon capsule. We also discuss the growth of CdSC and neat CdS nanocrystals on stainless steel coupons (SSC) by a reaction under autogenic pressure at elevated temperature (RAPET) technique. The thermal decomposition of mixture of Cd(acetate) 2 and sulfur, selenium and tellurium was carried out at 750[Formula: see text]C under air for 3[Formula: see text]h. The synthesized products were systematically characterized by X-ray powder diffraction, scanning electron microscopy (SEM) and transmission electron microscopy. Carbon matrix, with an average diameter of 250[Formula: see text]nm, encapsulated several nanometric-sized CdS nanocrystals, as evidenced from high resolution SEM (HRSEM). We examined the optical properties of this core/shell CdS@C and nonencapsulated CdS nanocrystals and found that both core shell and neat CdS nanocrystals show emission in the pohotoluminescence (PL) spectrum.
Procalcitonin has wider applicability in community-acquired pneumonia than other biomarkers (2018)

<b>Background:</b> Biomarkers are helpful tools to aid clinical decision-making in community-acquired pneumonia (CAP) through identification of microbial etiology and severe outcome, but there is a need for clarification of the most useful biomarker(s) and cut-off levels of best clinical significance. We measured levels of five biomarkers and examined their association with microbial etiology, disease severity and short-term outcome in CAP. <b>Methods:</b> C-reactive protein (CRP), procalcitonin (PCT), pentraxin 3 (PTX3), soluble triggering receptor expressed on myeloid cells-1 (sTREM-1) and soluble urokinase plasminogen activator receptor (suPAR) levels were analyzed in samples obtained at admission, clinical stabilization and six weeks post-discharge from 267 hospitalized adults with CAP. Microbial etiology was established in 63% of patients. Disease severity was assessed by the CURB-65 severity score. Adverse short-term outcome was defined as intensive care unit admission and/or 30-day mortality. <b>Results:</b> High admission levels of CRP (OR 1.90, p=0.011) and PCT (OR 1.44, p=0.002), as well as PCT &gt;0.5 ug/L (OR 3.11, p=0.002) were associated with bacterial etiology of CAP, providing moderate predictive accuracy (area under the curve 0.68, 0.67, 0.67, respectively, p&lt;0.05 for all). High admission levels of PCT, PTX3, sTREM-1 and suPAR were associated with CURB-65 ≥3 (OR 1.33, 2.51, 11.76, 10.72, respectively, p&lt;0.001 for all) and an adverse short-term outcome (OR 1.40, 2.46, 2.73, 3.57, respectively, p&lt;0.05 for all). <b>Conclusion:</b> In this CAP cohort, PCT had both diagnostic and prognostic value, demonstrating wider applicability than other biomarkers examined and thus supporting a greater use of this marker.
Disorders of the Shoulder : Diagnosis and Management (1999)

ROTATOR CUFF DISEASE AND TENDON RUPTURES: Anatomy, Biomechanics and Pathogenesis of Rotator Cuff Disease / Diagnosis, Patient Selection, and Clinical Decision Making / Management of Rotator Cuff Disease: Intact and Repairable Cuff / Management of Irreparable Rotator Cuff Tears: The Role of Tendon Transfer / Complications of Rotator Cuff Surgery / Calcifying Tendinitis / Disorders of the Biceps Tendon / Traumatic Muscle Ruptures GLENOHUMERAL INSTABILITY: Anatomy, Biomechanics, and Pathophysiology of Glenohumeral Instability / Biomechanics and Pathologic Lesions in the Overhead Athlete / Diagnosis of Glenohumeral Instability / Anterior and Anteroinferior Instability: Open and Arthroscopic Management / Posterior Instability: Open and Arthroscopic Management / Multidirectional Instability: Open and Arthroscopic Management / Chronic Dislocations / Complications of Instability Surgery FROZEN SHOULDER: Diagnosis and Management of the Stiff Shoulder GLENOHUMERAL JOINT ARTHRITIS AND RELATED DISORDERS: Pathophysiology, Classification, and Pathoanatomy of Glenohumeral Arthritis and Related Disorders / Biomechanics of the Glenohumeral Joint: Influence on Shoulder Arthroplasty / Alternatives to Replacement Arthroplasty for Glenohumeral Arthritis / Glenohumeral Arthrodesis / Unconstrained Prosthetic Arthroplasty for Glenohumeral Arthritis with an Intact or Repairable Rotator Cuff: Indications, Techniques, and Results / Cuff Deficiency Arthropathy: Un-constrained and Constrained Shoulder Arthroplasty / Complications of Shoulder Arthroplasty / Techniques for Revision Arthroplasty: Management of Bone and Soft Tissue Loss FRACTURES: Fractures of the Scapula: Diagnosis and Treatment / Fractures of the Proximal Humerus: Classification and Diagnosis and Non-operative Management / Minimally Invasive Techniques for Proximal Humeral Fractures / Hemiarthroplasty for Proximal Humerus Fractures / Malunions, Nonunions and Other Complications of the Proximal Humerus Fractures / Fractures of the Clavicle ACROMIOCLAVICULAR AND STERNOCLAVICULAR JOINTS: Disorders of the Acromioclavicular Joint: Pathophysiology, Diagnosis and Management / Disorders of the Sternoclavicular Joint: Pathophysiology, Diagnosis and Management NEUROMUSCULAR AND SCAPULOTHORACIC DISORDERS: The Scapulothoracic Articulation: Anatomy, Biomechanics, Pathophysiology, and Management / Injuries of the Brachial Plexus / Suprascapular and Axillary Nerve Injuries NEOPLASIA AND INFECTION: Tumors of the Shoulder Girdle / Sepsis of the Shoulder Girdle REHABILITATION AND OUTCOME MEASURES: General Techniques of Shoulder Rehabilitation / Disease Specific Methods of Rehabilitation / Measurement of Shoulder Outcomes PAIN MANAGEMENT: Medical Management of Chronic Shoulder Pain / Anesthesia for Shoulder Surgery
Socio Economic Status of Scheduled Tribes in Kolli Hills of Tamil Nadu (2020)

Social and economic justice, equal status and opportunities and the assurance of the dignity of the individual are guaranteed by the Indian Constitution for all citizens among other things. Economic and social marginalization, primitive life, geographical isolation, and educational backwardness define the Scheduled Tribes communities in India. India's constitution is filled with several provisions for scheduling castes and scheduling tribes to protect and endorse them by improvising their socio- economic interests to bring them into the nation's mainstream. Two stage sampling method was used for this study. The majority of the people in the field of study are illiterate. The main occupation is agriculture and income from this helps the individuals in the field of research in their everyday expenses. More significance and emphasis needs to be given to the educational aspects to enhance their social standing in the future. In this study the researcher tries to understand the current socio-economic status of the Scheduled tribes in Kolli Hills Namakkal district Tamil Nadu.
Point-of-care hepatitis C reflex testing and treatment referral in methadone clinic settings in Hong Kong—a pilot study (2022)

The use of a simplified testing algorithm in the setting of substitution treatment services, incorporating reflex HCV testing, could be an effective strategy for contributing towards the micro-elimination of HCV in PWID.
Modeling Real-Time Sag in the Wellbore (2016)

Abstract Weight material sag occurs during drilling operations when drilling fluids remain idle in the wellbore for time periods ranging from hours to several days at static or low-shear conditions. This paper presents a novel method of predicting real-time sag behavior in the wellbore. The method also accurately predicts the fluid mud weight collected at the surface as it is circulated out after a sag event, providing a significant advancement in drilling fluids engineering. Weight material sag is broadly viewed as the settling of barite particles in drilling fluids (primarily oil-based) under various mechanisms. Fluid composition (barite size/concentration and oil/water ratio) and fluid properties (i.e., rheology) influence the barite settling rate. The well geometry (i.e., inclination and diameter) also affects sag behavior. In addition, well operating conditions (i.e., temperature, pressure, and time for which fluid is uncirculated) also influence sag severity. A comprehensive computational approach was developed to model the sag behavior in wellbores using fluids composition/properties and wellbore geometry/conditions information. The wellbore sag model predicts information about the changing fluid composition along the wellbore depth as affected by sag, when the fluid in the well is under idle conditions (static or low shear). Specifically, for a wellbore section of a given inclination, the model provides quantitative density/rheology estimates of the barite-depleted zone at the top of the section and the barite-accumulated zone at the bottom. As the sag-affected fluid is circulated out after an idle period, the model also predicts the varied mud weight of the fluid collected at the surface and the corresponding transient bottomhole equivalent circulating density (ECD) as the circulation begins. The wellbore sag model predictions, especially the variation in the mud weight of the fluid collected at the surface after the sag event, were tested on several wells and fluid systems. The model provided good correlations between measured and predicted fluid density, typically less than 0.1 lbm/gal. The model accurately demonstrates how certain fluids show good sag resistance in some wells yet fail in some complex wells. The model also shows excellent sag resistance of certain specialized fluids in complex wells, which is in agreement with the field observation. A method to accurately determine real-time sag in the field has been a long-standing need. The successfully validated wellbore sag model, which captures the combined effect of fluids composition/properties and wellbore geometry/conditions, could serve as a useful tool for mud engineers to evaluate the sag behavior. It could also enable fast decision making at the rig site to optimize fluid formulations and operating conditions for sag management.
Notizen: The Crystal Structure of N 3 P 3 C 15 (NPPh 3 ) — a Novel Conformation in Phosphazenylcyclophosphazene Chemistry (1976)

An X-ray crystallographic structure investigation of pentachloro(triphenylphosphazenyl)cyclotriphosphazatriene, N 3 P 3 C 15 (NPPh 3 ), reveals a novel conformation (type I) of the triphenylphosphazenyl group with respect to the adjacent ring segment. This is contrasted with the structure of gem. –N 3 P 3 CI 4 Ph(NPPh 3 ), where a type II conformation is observed.
Development of a Voronoi Tree for Cavities by Hodograph-Hodograph Intersection (1999)

Abstract This paper reports on research efforts to efficiently find a Voronoi tree for cavities described by Non-Uniform Non-Rational B-Spline Curves. It examines the motivation for solving this problem, and it reviews the literature on splines and their hodographs (or offset curves). This paper then offers a technique for finding a Voronoi tree for cavities by intersecting hodograph curves. The possibilities for an analytical determination of intersection are considered, and a numerical methodology is presented. This numerical method is demonstrated on two different types of problems: a symmetric cavity problem and an asymmetric cavity problem. Finally, conclusions are drawn about this work.
Reprogramming a module of the 6-deoxyerythronolide B synthase for iterative chain elongation (2012)

Multimodular polyketide synthases (PKSs) have an assembly line architecture in which a set of protein domains, known as a module, participates in one round of polyketide chain elongation and associated chemical modifications, after which the growing chain is translocated to the next PKS module. The ability to rationally reprogram these assembly lines to enable efficient synthesis of new polyketide antibiotics has been a long-standing goal in natural products biosynthesis. We have identified a ratchet mechanism that can explain the observed unidirectional translocation of the growing polyketide chain along the 6-deoxyerythronolide B synthase. As a test of this model, module 3 of the 6-deoxyerythronolide B synthase has been reengineered to catalyze two successive rounds of chain elongation. Our results suggest that high selectivity has been evolutionarily programmed at three types of protein-protein interfaces that are present repetitively along naturally occurring PKS assembly lines.
Structure and Dynamics of 1-Ethyl-3-methylimidazolium Acetate via Molecular Dynamics and Neutron Diffraction (2010)

The liquid state structure of the ionic liquid, 1-ethyl-3-methylimidazolium acetate ([C(2)mim][OAc]), an excellent nonderivitizing solvent for cellulosic biomass, has been investigated at 323 K by molecular dynamics (MD) simulation and by neutron diffraction using the SANDALS diffractometer at ISIS to provide experimental differential neutron scattering cross sections from H/D isotopically substituted materials. Ion-ion radial distribution functions both calculated from MD and derived from the empirical potential structure refinement (EPSR) model to the experimental data show the alternating shell structure of anions around the cation, as anticipated. Spatial probability distributions reveal the main anion-to-cation features as in-plane interactions of anions with the three imidazolium ring hydrogens and cation-cation planar stacking above/below the imidazolium rings. Interestingly, the presence of the polarized hydrogen-bond acceptor (HBA) anion (acetate) leads to an increase in anion-anion tail-tail structuring within each anion shell, an indicator of the onset of hydrophobic regions within the anion regions of the liquid. MD simulations show the importance of scaling of the effective ionic charges in the basic simulation approach to accurately reproduce both the observed experimental neutron scattering cross sections and ion self-diffusion coefficients.
Heterogeneous catalysis of the glycerol hydrogenolysis (2011)

Glycerol has become an important feedstock for chemicals. Selective hydrogenolysis of glycerol has been attempted using several types of catalysts: non-noble-metal catalysts, noble-metal catalysts with an acid as an additive, noble-metal catalysts combined with a base, and metal-oxide-modified noble-metal catalysts. The former three approaches give 1,2-propanediol as a main product, while the mechanisms may be different. Only the last one can selectively give the more valuable 1,3-propanediol.
Engine Performance Improvement by Controlling the Low Pressure Compressor Working Line (2005)

The new algorithm provides closed-loop control of the LP Compressor working line in such a way as to maintain compressor stability and to provide increased power from the engine at the same firing temperature. This method is intended for the Trent 60, an aero-derivative engine designated for power generation and mechanical drive applications. The power benefit is achieved by operating at higher LPC pressure ratio and thereby increasing the inlet air flow and overall pressure ratio of the engine. Since the algorithm controls the working line, the threats to compressor stability related to the working line level are removed (including production scatter, deterioration and fouling) and the required surge margin can be safely reduced, providing a significant benefit in engine performance. The paper presents comparatively the structure of the current and new concepts, the main features of the controller and stresses the improved accuracy and reliability of new algorithms. The performance benefit is then assessed; the increase in power is about 3% at ISO, sea level conditions and varies with ambient temperature.
29-mp 35-mm format interline CCD image sensor (2012)

This paper describes the design and performance of a new high-resolution 35 mm format CCD image sensor using an advanced 5.5 &#956;m interline pixel. The pixels are arranged in a 6576 (H) × 4384 (V) format to support a 3:2 aspect ratio. This device is part of a family of devices that share a common architecture, pixel performance, and packaging arrangement. Unique to this device in the family is the implementation of a fast line dump structure and horizontal CCD lateral overflow drain.
Reactions of Coordinated Ligands. XIII. Cobalt(III)-Promoted Hydrolysis of Glycine Esters1a (1966)

ADVERTISEMENT RETURN TO ISSUEPREVArticleNEXTReactions of Coordinated Ligands. XIII. Cobalt(III)-Promoted Hydrolysis of Glycine Esters1aM. Dale Alexander and Daryle H. BuschCite this: J. Am. Chem. Soc. 1966, 88, 6, 1130–1138Publication Date (Print):March 1, 1966Publication History Published online1 May 2002Published inissue 1 March 1966https://pubs.acs.org/doi/10.1021/ja00958a009https://doi.org/10.1021/ja00958a009research-articleACS PublicationsRequest reuse permissionsArticle Views123Altmetric-Citations43LEARN ABOUT THESE METRICSArticle Views are the COUNTER-compliant sum of full text article downloads since November 2008 (both PDF and HTML) across all institutions and individuals. These metrics are regularly updated to reflect usage leading up to the last few days.Citations are the number of other articles citing this article, calculated by Crossref and updated daily. Find more information about Crossref citation counts.The Altmetric Attention Score is a quantitative measure of the attention that a research article has received online. Clicking on the donut icon will load a page at altmetric.com with additional details about the score and the social media presence for the given article. Find more information on the Altmetric Attention Score and how the score is calculated. Share Add toView InAdd Full Text with ReferenceAdd Description ExportRISCitationCitation and abstractCitation and referencesMore Options Share onFacebookTwitterWechatLinked InRedditEmail Other access optionsGet e-Alertsclose Get e-Alerts
Coordination chemistry of macrocyclic ligands (2009)

This chapter reviews the literature published during 2008 on macrocyclic coordination chemistry. Porphyrin ligands and supramolecular chemistry are not covered in this review which primarily focuses on complexes formed with transition metals and lanthanide ions, although a few examples of s-block, p-block and actinide metals are included. In general, the focus is on the coordination properties and reactivity of the compounds, although some applications will also be discussed, particularly in a brief section at the end of the chapter. Representations of X-ray structures have been included to show interesting coordination geometries, ion encapsulation or ligand orientation.