gebhart/patrepeval huggingface dataset:
Engineering Crystal Modifiers: Bridging Classical and Nonclassical Crystallization (2016)

The use of growth modifiers in natural, biological, and synthetic crystallization is a ubiquitous strategy for controlling growth and achieving desired physicochemical properties. For crystals that grow classically (i.e., monomer-by-monomer addition), theories of crystallization are well established and the field of growth modification is rather mature, although many questions remain regarding the molecular driving forces of modifier–crystal interactions. A new frontier in crystallization is the application of classical methods to tailor materials that grow nonclassically (i.e., growth by the addition of species more complex than monomers). A recent surge of interest and activity in this field has been driven by mounting evidence of both inorganic and organic materials that grow via nonclassical pathways. In these systems, the challenge of elucidating the mechanism(s) of crystallization is underscored by a diversity of growth units that far outnumber those available for classical routes. In this Perspective, we discuss growth modification in nonclassical crystallization, including examples in the literature, the challenges associated with elucidating the modes of modifier action, and to what degree classical theories can be applied to these complex problems as a means of establishing versatile blueprints for crystal engineering.
Michael acceptor approach to the design of new salvinorin A-based high affinity ligands for the kappa-opioid receptor (2020)

The neoclerodane diterpenoid salvinorin A is a major secondary metabolite isolated from the psychoactive plant Salvia divinorum. Salvinorin A has been shown to have high affinity and selectivity for the κ-opioid receptor (KOR). To study the ligand–receptor interactions that occur between salvinorin A and the KOR, a new series of salvinorin A derivatives bearing potentially reactive Michael acceptor functional groups at C-2 was synthesized and used to probe the salvinorin A binding site. The κ-, δ-, and μ-opioid receptor (KOR, DOR and MOR, respectively) binding affinities and KOR efficacies were measured for the new compounds. Although none showed wash-resistant irreversible binding, most of them showed high affinity for the KOR, and some exhibited dual affinity to KOR and MOR. Molecular modeling techniques based on the recently-determined crystal structure of the KOR combined with results from mutagenesis studies, competitive binding, functional assays and structure–activity relationships, and previous salvinorin A–KOR interaction models were used to identify putative interaction modes of the new compounds with the KOR and MOR.
(Bio)hybdrid materials based on optically active particles (2014)

In this contribution we provide an overview of current investigations on optically active particles (nanodiamonds, upconversion phospors) for biohybrid and sensing applications. Due to their outstanding properties nanodiamonds gain attention in various application elds such as microelectronics, optical monitoring, medicine, and biotechnology. Beyond the typical diamond properties such as high thermal conductivity and extreme hardness, the carbon surface and its various functional groups enable diverse chemical and biological surface functionalization. At Fraunhofer IKTS-MD we develop a customization of material surfaces via integration of chemically modi ed nanodiamonds at variable surfaces, e.g bone implants and pipelines. For the rst purpose, nanodiamonds are covalently modi ed at their surface with amino or phosphate functionalities that are known to increase adhesion to bone or titanium alloys. The second type of surface is approached via mechanical implementation into coatings. Besides nanodiamonds, we also investigate the properties of upconversion phosphors. In our contribution we show how upconversion phosphors are used to verify sterilization processes via a change of optical properties due to sterilizing electron beam exposure.
HIV-1 can be recovered from a variety of cells including peripheral blood monocytes of patients receiving highly active antiretroviral therapy: a further obstacle to eradication (2000)

During highly active antiretroviral therapy (HAART), HIV-1 can still persist in circulating, resting CD4+ T lymphocytes, lymph node mononuclear cells, and seminal cells of patients despite sustained suppression of plasma viremia to undetectable levels. Sanctuary sites where antiretroviral drug penetration is not optimal may allow local HIV-1 infection of cells within and passing through these tissues. Factors such as imperfect drug adherence due to complicated drug regimens may also result in tissue compartments with suboptimal drug concentrations allowing viral replication. We have examined blood monocytes from HIV-1-infected subjects being effectively treated with HAART to determine virus carriage in these cells. Monocytes were purified from peripheral blood of patients with plasma HIV-1 RNA below 50 copies/mL and who had maintained levels of plasma RNA below detection for 3 months or more. Replication-competent virus could be recovered from the majority of monocyte populations by co-culture with CD8-depleted, PHA-activated, peripheral blood mononuclear cells. Sequencing of the reverse transcriptase and protease genes of the recovered viruses did not reveal resistance to both reverse transcriptase and protease inhibitors. Continued new infection of this transitory, circulating population of cells even during prolonged, effective HAART most likely reflects ongoing, low-level HIV-1 replication within cellular reservoirs and sanctuary sites in the body.
Sandia RF MEMS Lifetest Efforts. (2020)

Abstract not provided.
Enhanced thermally conductive TPU/graphene filaments for 3D printing produced by melt compounding (2022)

Abstract Conducting polymers are a potential solution to the issue of wide‐range manufacture of flexible electronics, since many polymers are suitable to advanced fabrication methods, such as fused deposition modeling (FDM) 3D printing. Therefore, it is proposed in this work a ductile thermoplastic polyurethane (TPU)/graphene nanocomposite with enhanced thermal conductivity that would be suitable for additive manufacturing processes. The nanocomposites were produced by melt compounding technique, which does not require the use of toxic solvents and is characteristic of being used by the thermoplastic industry. The filaments were then analyzed in terms of graphene dispersion, microstructural changes, mechanical behavior, and thermal conductivity. It was verified that graphene does not have a good interaction with the TPU matrix, presenting voids at the interface and forming agglomerates at higher contents. However, it was able to affect the TPU's hard segments organization, leading to a more ordered structure up to 1.0 wt%. Consequently, the thermal conductivity was enhanced up to the graphene concentration by about 14% in relation to neat TPU. Additionally, even though the system presented a poor interface, no mechanical properties were lost, that is, the composite remained ductile even after graphene insertion, which is extremely interesting for additive manufacturing processes.
<i>Editorial Commentary:</i> Complications of Shoulder Rotator Cuff Repair Are Relevant in Modern Health Care (2018)

Understanding the type and rate of complications after shoulder rotator cuff repair could help surgeons to focus their quality improvement efforts. This is of great current relevance because value in health care is defined as the ratio of outcomes over cost, and complications increase cost significantly. A particular focus could be on lowering the rate of complications associated with "riskier" patients and "riskier" surgical techniques.
A 45nm single power supply SRAM supporting low voltage operation down to 0.6V (2008)

A 256 Kb SRAM macrocell has been implemented in a 45 nm Low Power CMOS technology. A process and temperature tracking write-assist scheme, a write booster circuit and an adaptive read assist scheme allow low voltage operation down to 0.6 V with a single power supply.
66.4: Large‐Sized Flexible Lighting with Highly Efficient OLEDs (2013)

Abstract A flexible OLED lighting demonstrating over 130 lm/W by combining a highly efficient OLED and a light outcoupling film has been developed. Furthermore, a prototype 360 × 300‐mm flexible OLED lighting was successfully fabricated by using transfer technology.
High-Density Recording on a Phase-Change Optical Disk with Suppression of Material Flow and Recording-Mark Shape-Deformation (1996)

Double-reflective-layer structure disks with recording film containing a high-melting-point component that does not melt during recording are studied. Cr–Te is chosen for the high-melting-point component to be added to Ge–Sb–Te recording film to suppress a recording film material flow. A Si–Al double-reflective-layer structure has the advantage of increasing the material flow stopping power margin. The structure is also effective in preventing deformation of the recording marks due to the difference in light absorption between the crystallized region and the amorphized recording mark. A Si–Al double-reflective-layer-structure disk with Cr–Ge–Sb–Te recording film shows very little distortion in the reproduced signal waveform even after 10 4 overwrites of pulse-width modulation (PWM). This makes it suitable for high density recording as a rewritable digital video disk (DVD).
Approach for power scaling solid-state lasers with intracavity motion (2017)

Solid-state lasers are typically limited by adverse thermal effects within the gain medium. In this Letter we describe a new method for dramatically reducing thermal effects in an end-pumped solid-state laser by incorporating a rotating intracavity periscope in the resonator to spatially separate the lasing and thermal processes. In contrast with previous examples of moving solid-state lasers, our approach keeps the gain medium stationary, simplifying the heat removal arrangement. This scheme has been applied to an Nd:YAG laser, yielding an output power of 120 W at 1.064 μm, limited by available pump power. Analysis suggests that scaling to much higher power is feasible with the appropriate laser design.
Experimental Study of the Benefits of a Second Antenna at the User Side in a Massive MIMO System (2017)

Massive MIMO is commonly described as a large number of base station (BS) antennas serving a smaller number of single-antenna users. However, adding a second antenna to the user handset opens the possibility to exploit multiplexing techniques and obtain higher throughput. This paper is based on a measurement campaign comprising a BS with 64 elements reconfigurable into three shapes: 1) a very large array with 6-m aperture; 2) a large array with 2m aperture; and 3) a compact two dimensional array with 25 cm by 28 cm sides. We study the throughput in single-user and multi-user scenarios using both non-linear optimal and linear precoders. The experimental results show that the throughput increases when adding a second antenna, but the increase is lower than in Gaussian channels due to the intra-user correlation. However, increasing the number of BS antennas, massive MIMO achieves more benefits from the second antenna. A large number of users in the system and the inter-user correlation reduce the benefits of a second antenna in the user handset.
Endovascular management of the juxtarenal aortic aneurysm: can uncovered stents safely cross the renal arteries? (1999)

A short or otherwise suboptimal neck precludes the use of endovascular repair in 30% to 50% of patients with abdominal aortic aneurysms. Stent-graft fixation in an unsuitable neck carries the risk of technical failure owing to development of a proximal endoleak or stent-graft migration. Furthermore, in some patients, the neck dilates postoperatively. Endovascular healing with tissue incorporation into the graft material seems in and of itself insufficient to fixate the stent-graft adequately or to prevent neck dilation. Therefore, neck dilation is often associated with detachment of the stent-graft from the aortic wall, which is followed by the development of a proximal endoleak or stent-graft migration. Fixation of stent-grafts can be improved by placing the proximal stent above one or both of the renal artery orifices. Current experimental and clinical data suggest that renal function is not impaired by suprarenal aortic stents during the first year; however, this finding may not apply to all types of stents. Fixation of stent-grafts also may be improved by using stents with barbs that pierce the aortic wall. Additionally, the force that is exerted on the anchoring device may well be reduced by fully stented grafts with an associated increase in column strength. In the future, the risk of neck dilation and stent-graft dislodgement might also be limited by novel techniques such as laparoscopic banding of the neck or endoluminal stapling devices.
Developing a Standard Set of Patient-Centred Outcomes for Inflammatory Bowel Disease—an International, Cross-disciplinary Consensus (2017)

A Standard Set of outcome measures for IBD has been developed based on evidence, patient input and specialist consensus. It provides an international template for meaningful, comparable and easy-to-interpret measures as a step towards achieving value-based healthcare in IBD.
Ultrasound-enhanced localized chemotherapy of drug-sensitive and multidrug resistant tumors (2006)

A new modality of targeted tumor chemotherapy is based on the drug encapsulation in polymeric nanoparticles followed by a localized release at the tumor site triggered by focused ultrasound. Effect of 1 MHz and 3 MHz unfocused ultrasound applied locally to the tumor on the Doxorubicin (DOX) biodistribution and tumor growth rates was measured for ovarian carcinoma tumors in nu/nu mice. The bioeffects of ultrasound were investigated on the systemic and cellular levels. Growth rates of A2780 ovarian carcinoma tumors were substantially reduced by combining micellar drug delivery with tumor irradiation. Ultrasound effect was not thermal as manifested by intratumoral temperature measurements during sonication. Biodistribution studies showed that ultrasound did not enhance micelle extravasation. Main mechanisms of the ultrasound‐enhanced chemotherapy included (i) passive targeting of drug‐loaded micelles to the tumor interstitium; (ii) ultrasound‐triggered localized drug release from micelles in the tumor volume; (iii) enhanced micelle and drug diffusion through the tumor interstitium; and (iv) ultrasound‐triggered cell membrane damage resulting in the enhanced micelle and drug uptake by tumor cells.
Q-band splitting in the spectra of heme proteins (1989)

ADVERTISEMENT RETURN TO ISSUEPREVArticleQ-band splitting in the spectra of heme proteinsJ. A. Cowan and Harry B. GrayCite this: Inorg. Chem. 1989, 28, 25, 4554–4556Publication Date (Print):December 1, 1989Publication History Published online1 May 2002Published inissue 1 December 1989https://pubs.acs.org/doi/10.1021/ic00324a026https://doi.org/10.1021/ic00324a026research-articleACS PublicationsRequest reuse permissionsArticle Views733Altmetric-Citations13LEARN 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
Physics-Based Model for Nonuniform Thermionic Emission from Spatially Heterogeneous Cathodes (2022)

Experiments show that there exists a smooth roll-off or knee transition between the temperature-limited (TL) and full-space-charge-limited (FSCL) emission regions of the emission current density-temperature J - T (Miram) and current density-voltage J - V curve for a thermionic emission cathode. We construct a physics-based model for nonuniform thermionic emission, including 3-D space charge, patch fields, and Schottky barrier lowering effects, which can accurately predict the J - T and J - V curves for a given 2-D work function map of the cathode surface. Our model does not require empirical equations or a priori assumptions of a continuous distribution of work functions on the cathode surface. We find the smooth transition arises as a natural consequence of the physics of nonuniform emission. To predict the emission from commercial dispenser cathodes, we obtain the work function map by incorporating the surface grain orientation via electron backscatter diffraction (EBSD) and the orientation-specific work function values from density functional theory (DFT) calculations. The predicted J - T and J - V curves show excellent agreement with experiment, not only in TL and FSCL regions but also in the smooth TL-FSCL transition region. This model provides a method to predict the thermionic emission from the microstructure of a commercial cathode and improves the understanding on the nonuniform electron beam from spatially heterogeneous cathodes.
A Probabilistic Model for Real-Time Semantic Prediction of Human Motion Intentions from RGBD-Data (2021)

For robots to execute their navigation tasks both fast and safely in the presence of humans, it is necessary to make predictions about the route those humans intend to follow. Within this work, a model-based method is proposed that relates human motion behavior perceived from RGBD input to the constraints imposed by the environment by considering typical human routing alternatives. Multiple hypotheses about routing options of a human towards local semantic goal locations are created and validated, including explicit collision avoidance routes. It is demonstrated, with real-time, real-life experiments, that a coarse discretization based on the semantics of the environment suffices to make a proper distinction between a person going, for example, to the left or the right on an intersection. As such, a scalable and explainable solution is presented, which is suitable for incorporation within navigation algorithms.
Integrins inhibit LPS-induced DNA strand breakage in cultured lung endothelial cells (1996)

Collagen inhibits acute DNA strand breakage and apoptosis in sheep pulmonary artery endothelial cells (SPAEC) treated with lipopolysaccharide (LPS). Here we tested the ability of major basement membrane components, type IV collagen, laminin and fibronectin, and integrin ligands and anti-integrin antibodies to inhibit DNA breakage caused by LPS in SPAEC and BALB/c murine lung endothelial cells (MLEC). In situ labeling of DNA strand breaks with terminal deoxynucleotidyl transferase revealed similar DNA breakage in attached SPAEC and MLEC within 2 h after incubation with 1 microgram LPS/ml. Acute DNA strand breakage was reduced in cells plated on gelatin, type IV collagen, laminin, cellular fibronectin, or plasma fibronectin. DNA breakage was also suppressed by plating cells on surfaces coated with the integrin ligand hexapeptide, GRGDSP (40 micrograms/cm2), but not with GRADSP. LPS-induced DNA strand breakage was inhibited in MLEC plated on surfaces coated with antibodies to murine alpha 5-, beta 1, or beta 3-integrin subunits. Addition of anti-integrin antibodies, but not GRGDSP, to the medium above cell monolayers inhibited strand breakage. Despite similar acute DNA breakage, MLEC exhibited less detachment and apoptosis than SPAEC, consistent with a difference in the sensing or processing systems for apoptosis in these two cell types. These results demonstrate that extracellular matrices and integrin activation can inhibit the genotoxicity of LPS.
Design your own elastomeric or stereoregular polymer (2002)

Abstract This study reports the synthesis and activity as precatalysts for the polymerization of propylene of five racemic group 4 complexes, cis‐[p‐R′C 6 H 4 C(NR) 2 ] 2 MX 2 (R′ = CH 3 , R = SiMe 3 , M = Ti, X = Cl ( 1 ); R′ = CH 3 , R = SiMe 3 , M = Zr, X = Cl ( 2 ); R′ = H, R = i‐pr, M = Zr, X = Cl ( 3 ); R′ = CH 3 , R = SiMe 3 , M = Zr, X = CH 3 ( 4 )) and (acac) 2 MCl 2 (M = Ti ( 5 ), M = Zr ( 6 )) (acac = acetylacetone). The hydrocarbyl complex 4 was prepared by the alkylation of the corresponding complex 2 with MeLi·LiBr. Reaction of complex 4 with B(C 6 F 5 ) 3 or all complexes with MAO (MAO = methylalumoxane) results in the formation of a “cationic” intermediate complex which rapidly reacts with the incoming monomer. Some of the complexes catalyze the stereoregular polymerization of propylene only under pressure in either toluene or CH 2 Cl 2 , producing polypropylene with very large isotacticities (mmmm % = ∼95–98), high melting points (140–154 °C) and similar molecular weights as compared with cyclopentadienyl complexes, whereas complex 5 is active for the polymerization of elastomeric polypropylene. Copyright ­© 2003 John Wiley &amp; Sons, Ltd.
A Depth-Universal Circuit (1985)

This paper describes a family of depth-universal circuits. For any n, c, d there is a universal circuit $U(n,c,d)$ that can simulate any circuit $\alpha $ having n inputs, of size c and depth d, and U has depth $O(d)$ and size $O(c^3 d/\log c)$. The construction is used to give an alternative proof of a theorem of Ruzzo showing the invariance under different uniformity conditions of complexity classes defined by uniform circuit families.
Insulin Gene Mutations Resulting in Early-Onset Diabetes: Marked Differences in Clinical Presentation, Metabolic Status, and Pathogenic Effect Through Endoplasmic Reticulum Retention (2009)

We describe three INS mutations cosegregating with early-onset diabetes whose clinical presentation is compatible with MODY. These led to the production of (pre)proinsulin molecules with markedly different trafficking properties and effects on ER stress, demonstrating a range of molecular defects in the beta-cell.
XRD, XPS and XANES characterizations of tungsten oxide supported on α-alumina catalysts (2000)

Dans ce travail, nous avons mene une etude de caracterisation par XPS, XRD et XANES de systemes WO x /α-Al 2 O 3 . Deux catalyseurs de teneur en oxyde de tungstene WO 3 differente (6.7%wt et 38.8%wt) ont ete etudies. Ces systemes ont ete testes en reactivite du 2-methyl-pentane et du 4-methyl-1-pentene. Le catalyseur constitue d'un equivalent monocouche d'oxyde de tungstene WO 3 (6.7%wt) se revele tres selectif pour les reactions d'isomerisation de squelette des hydrocarbures insatures et remarquablement stable sous hydrogene. Ces proprietes sont attribuees a la presence en surface d'especes tungstates amorphes, formees d'entites WO 4 et WO 5 , en interaction avec le support. Lorsque la concentration en oxyde de tungstene est plus importante (38.8%wt), une phase WO 3 parfaitement cristallisee se forme au dessus de la monocouche en interaction avec le support. Un tel catalyseur presente alors des proprietes catalytiques similaires a celles observees a partir d'une poudre massique de WO 3 .
Factors associated with sports-related dental injuries among young athletes: a cross-sectional study in Miyagi prefecture (2017)

Although our results might be based on the individual athlete's self-perception to the sports-related variables, our results suggest that insufficient break time, verbal abuse, and physical punishment from coaches are positively associated with the prevalence of sports-related dental injuries in young male athletes.