gebhart/patrepeval huggingface dataset:
Protein-Protein Docking (2016)

Protein-protein docking algorithms are powerful computational tools, capable of analyzing the protein-protein interactions at the atomic-level. In this chapter, we will review the theoretical concepts behind different protein-protein docking algorithms, highlighting their strengths as well as their limitations and pointing to important case studies for each method. The methods we intend to cover in this chapter include various search strategies and scoring techniques. This includes exhaustive global search, fast Fourier transform search, spherical Fourier transform-based search, direct search in Cartesian space, local shape feature matching, geometric hashing, genetic algorithm, randomized search, and Monte Carlo search. We will also discuss the different ways that have been used to incorporate protein flexibility within the docking procedure and some other future directions in this field, suggesting possible ways to improve the different methods.
ChemInform Abstract: Structural Properties of Native and Sonicated Cinerean, a β‐(1 . fwdarw. 3)(1 → 6)‐D‐Glucan Produced by Botrytis cinerea. (1995)

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.
Studies on the Oligomer. IV. Mesurement of Molecular Weight Distribution of Origostyrene (1963)

四塩化炭素-スチレン系のテロメリ化反応で得られた,平均重合度約40のオリゴスチレンの分子量分布を測定した。分別は,溶離型カラムクロマト法によった。20φ×2000mmの硬質ガラス管に160～200meshに整えた石英粉,シリカゲル粉を充填したカラムを使って分別効果を検討した結果,この種のオリゴマーについては後者の方が分別効果が大きいが,実用上はいずれも効果的に分別できることがわかった。展開剤にはMeOH-MEK系を連続組成変化するようにして用い,分子量分布,試料の数平均分子量と極限粘度の関係を検討した。この結果,溶離クロマト法は低重合体の分別,分子量分布測定に有効であり,再現性もよいことが明らかになった。オリゴスチレンの分子量分布曲線は,ポリスチレンのそれと比較して正規分布に近いようである。分別オリゴスチレンの数平均分子量とベンゼン溶液25℃で測定した極限粘度の関係式として,次式を得た。[η]=3.03×1mm-4M0.62
Activation of Resting, Pure CD4+, and CD8+ Cells via CD3 (1987)

We studied the requirements for secondary activation signals in pure CD4+ and CD8+ T cells after stimulation with anti-CD3 antibodies. Stimulation of CD4+ or CD8+ cells with anti-CD3 monoclonal antibodies (MoAb) bound to polystyrene monosized particles never resulted in a proliferative response. However, DNA synthesis was observed when recombinant interleukin 2 (IL-2) or other secondary signals, such as those provided by phorbol myristate acetate (PMA) or autologous accessory cells (AC), were also added. These secondary signals were not in themselves capable of inducing DNA synthesis in the absence of particle-bound anti-CD3. We also found that the signals provided by AC may be dependent on the activation state of these cells. Thus, the effects of accessory cells were enhanced by a factor present in fetal calf serum (FCS), most likely endotoxin or lipopolysaccharide (LPS), which alone, however, were not able to activate T cells, even in the presence of particle-bound anti-CD3. Recombinant IL-1 over a broad dose range was unable to replace PMA or activated AC after stimulation with particle-bound anti-CD3. Purified CD4+ and CD8+ T cells behaved identically in all the experiments, indicating that the basic mechanisms for activation in the two T-cell subsets are identical.
SMAD4 Gene Mutations Are Associated with Poor Prognosis in Pancreatic Cancer (2009)

SMAD4 gene inactivation is associated with poorer prognosis in patients with surgically resected adenocarcinoma of the pancreas.
AI4Mobile: Use Cases and Challenges of AI-based QoS Prediction for High-Mobility Scenarios (2021)

The integration of functions into future communication systems that predict crucial Quality of Service (QoS) parameters is expected to enable many new or enhanced use cases, for example, in vehicular networks and Industry 4.0. Especially with high user mobility, QoS prediction is required in an End-to-End (E2E) fashion to guarantee uninterrupted connectivity and provisioning of real-time applications. In this paper, we present a concise list of mobility use cases, both from automotive and industrial production domains, that benefit from Artificial Intelligence-based QoS prediction. These applications are investigated in the publicly-funded research project AI4Mobile by a representative consortium of industry and academia. Based on a literature review, we identify the main challenges in realizing predictive QoS at high mobility, and we propose research directions to enable the envisioned E2E solutions.
Chronic Sleep Deprivation-Induced Proteome Changes in Astrocytes of the Rat Hypothalamus (2014)

Sleep deprivation (SD) can influence cognition, memory, and sleep/wake homeostasis and can cause impairments in many physiological processes. Because the homeostatic control of the sleep/wake cycle is closely associated with the hypothalamus, the current study was undertaken to examine proteomic changes occurring in hypothalamic astrocytes following chronic partial SD. After chronic partial SD for 7 days, astrocytes were prepared from rat hypothalamus using a Percoll gradient method, and their proteome profiles were determined by LC-MS/MS. Comparisons of the proteome profiles of hypothalamic astrocytes revealed that chronic partial SD increased (≥1.5-fold) 89 proteins and decreased (≤0.7-fold) 50 proteins; these changes in protein expression were validated by western blot or immunohistochemistry. DAVID and IPA analyses of these proteins suggested that SD may influence gliotransmission and astrocyte activation. PPP2R1A, RTN4, VAMP-2, LGI-1, and SLC17A7 were identified and validated as the main targets of SD in astrocytes. Our results suggest that SD may modulate gliotransmission in the hypothalamus, thereby disturbing sleep/wake homeostasis and increasing susceptibility to neurological disease; however, further studies are required to confirm whether the proteome changes are specific to SD.
Prácticas de fundamento de ciencias de la materia: cinética química. Estudio cualitativo. (2021)

En esta práctica se determinará de manera cuantitativa la velocidad de la reacción entre el Zn y el HCl, a partir del tiempo necesario para que se consuma una cantidad inicial de Zn determinada. A continuación, se observarán, de forma cualitativa, cómo determinados factores influyen en la velocidad de una reacción, aumentándola o disminuyéndola, según el caso. Estos factores serán la concentración, la temperatura y la superficie de contacto. La Cinética Química es la rama de la Química que estudia la velocidad con la que ocurren las reacciones. Esta velocidad se define como la variación de la concentración de una de las especies que intervienen en la reacción dividida entre el tiempo transcurrido en esa variación. En esta práctica, se procede al cálculo de la velocidad de una reacción estipulada. Para ello, inicialmente se hará un estudio para determinar qué especie se debe considerar para seguir la evolución de su concentración. Una vez hecho esto, se medirá el tiempo que esta especie tarda en pasar de una concentración inicial determinada hasta una concentración final, también dada. Con estos datos, se podrá calcular la velocidad de dicha reacción. Asimismo, se procederá a investigar cualitativamente cómo variación de la concentración de las especies, la temperatura o la superficie de contacto pueden modificar la velocidad de una reacción.
Processable cyanate ester resin from Cis resveratrol (2017)

ABSTRACT Trans resveratrol isomerizes to cis resveratrol (cRes) with ultra‐violet light and undergoes cyanation to the new compound cRes tricyanate ( 2 ). Monomer 2 polymerizes to a polycyanurate that is remarkably stable to heat with a glass transition temperature &gt; 350 °C and char yield of 73% in air up to 600 °C. The monomer 2 melts at &lt;80 °C with a wide processing window before polymerization. The new thermosetting resin made from a natural product is a useful matrix material for polymer matrix composites requiring high‐performance characteristics. © 2017 Wiley Periodicals, Inc. J. Polym. Sci., Part A: Polym. Chem. 2017 , 55 , 971–980
Surface Enhanced NMR Spectroscopy by Dynamic Nuclear Polarization (2010)

It is shown that surface NMR spectra can be greatly enhanced using dynamic nuclear polarization. Polarization is transferred from the protons of the solvent to the rare nuclei (here carbon-13 at natural isotopic abundance) at the surface, yielding at least a 50-fold signal enhancement for surface species covalently incorporated into a silica framework.
Hypotheses ranking and state tracking for a multi-domain dialog system using multiple ASR alternates (2015)

In this paper, we present an approach to improve the accuracy of multi-domain multi-turn spoken dialog system (SDS) by including alternate results from automatic speech recognition (ASR). Often, even if the top ranked result from the ASR is not correct, the correct result may still be available in the NBest list or in the word confusion network (WCN). Thus, the SDS performance can be improved by considering beyond the top ranked choice from the ASR. We employ late binding, such that multiple ASR choices are propagated through the SDS and knowledge fetch so that additional context can be utilized at later stages to determine the top choice that is good for the overall SDS. We rank alternate domain dependent semantic frames, multiple semantic frames per ASR choice, to determine the true SDS output. Using real-world data, extracted from the logs of Cortana personal digital assistant deployed to millions of users, we show that significant gains can be achieved in domain detection, intent determination, and slot tagging, by considering additional results from ASR.
Multitasking without compromise (2012)

The Multitasking Virtual Machine (called from now on simply MVM) is a modification of the Java™ virtual machine. It enables safe, secure, and scalable multitasking. Safety is achieved by strict isolation of applications from one another. Resource control mechanisms augment security by preventing some denial-ofservice attacks. Improved scalability results from an aggressive application of the main design principle of MVM: share as much of the runtime as possible among applications and replicate everything else. The system can be described as a 'no compromise' approach -- all the known APIs and mechanisms of the Java programming language are available to applications. MVM is implemented as a series of carefully tuned modifications to the Java HotSpot™ virtual machine, including the dynamic compiler. This paper presents the design of MVM, focusing on several novel and general techniques: an in-runtime design of lightweight isolation, an extension of a copying, generational garbage collector to provide best-effort management of a portion of the heap space, and a transparent and automated mechanism for safe execution of user-level native code. MVM demonstrates that multitasking in a safe language can be accomplished with a high degree of protection, without constraining the language, and with competitive performance characteristics.
Recoil studies of ablation in aluminiam with a nanosecond copper laser (2005)

Recoil momenta created by single copper laser pulses (/spl lambda/=511nm & 578nm) of various energies (0.1/spl sim/1mJ) were studied with a ballistic pendulum to determine the fluence thresholds for nanosecond ablation regimes.
The Impact of Encapsulation on Lithium Transport and Cycling Performance for Silicon Electrodes on Aligned Carbon Nanotube Substrates (2017)

In this study, silicon-coated vertically aligned carbon nanotube (Si-VACNT) electrodes were used to examine the impact of encapsulation, which effectively reduced the surface area exposed to the electrolyte. This system is ideal for examining the influence of an electrolyte-blocking layer due to its well-defined geometry and high aspect ratio. The morphology, composition and electrochemical performance of electrodes cycled at different rates were characterized for a range of silicon loadings. Significant differences were observed in the morphology and composition of the electrodes. However, the electrochemical performance was similar, and capacity fading was still observed for the encapsulated electrodes. The impact of the encapsulation layer on lithium transport was examined. Two different transport directions and length scales are relevant–1) radial transport of Li in/out of each silicon-coated nanotube (∼50 nm diameter) and 2) lithium transport along the length of the nanotubes (∼100 μm height). Experimental results indicate that the height of the Si-VACNT electrodes does not limit Li transport, even though that height was orders of magnitude greater than the diameter of the tubes. These results have important implications for a variety of encapsulation strategies.
Unveiling non-equilibrium metallurgical phases in dissimilar Al-Cu joints processed by vaporizing foil actuator welding (2019)

An integrated experimental and computational approach has been adopted to investigate the formation mechanism of intermetallic compounds (IMCs) in dissimilar Al-Cu joints processed by vaporizing foil actuator welding (VFAW). Aiming to understand the formation of IMCs and their transition, the present work employed first-principles calculations of thermodynamic properties as a function of temperature and pressure together with diffusivities of Al and Cu from the literature. Agreeing with experimental observations, the predicted IMC formation sequence in the low-energy welding region is as follows. θ-Al2Cu forms first due to the fast diffusivity of Cu in the Al-matrix. θ-Al2Cu then transforms to η2-AlCu because of the fast diffusivities of Al/Cu in θ-Al2Cu. In the high-energy welding region, the stable γ1-Al4Cu9 and the metastable θ’’-Al3Cu are also formed in addition to the aforementioned θ-Al2Cu and η2-AlCu. η2-AlCu and considerable γ1-Al4Cu9 are the major phases in the high-energy welding region. The present approach, combining experiments and calculations, is proven to be a practical way to understand non-equilibrium metallurgical processes, as demonstrated through the study of VFAW Al-Cu joints.
On the Solvability of Steady-State Load Flow Problems for Multi-Carrier Energy Systems (2019)

The coupling of single-carrier network into multicarrier energy systems (MES) has recently become more important. Conventional single-carrier steady-state load flow models are not able to capture the full extent of the coupling. Different models for multi-carrier networks have been proposed, either based on the energy hub concept or using a case specific approach. However, the effect of the coupling on solvability and well-posedness of the integrated system of non-linear equations has not been discussed. Using a general load flow model on a small example MES, this paper discusses the problems arising due the coupling of single-carrier networks, and provides guidelines to obtain a solvable steady-state load flow model for MES.
2-Amino-1,3-propane diols: a versatile platform for the synthesis of aliphatic cyclic carbonate monomers (2013)

Starting from commercially available 2-amino-1,3-propane diols, a variety of functional cyclic carbonate monomers were synthesized through a general two-step strategy. First the amino group was chemo-selectively reacted with a diverse set of electrophiles to result in functional diol intermediates (1), which were then cyclized in an intramolecular fashion to generate a series of functional aliphatic six-membered cyclic carbonate monomers (2). The unique feature of this approach is its ability to install concurrently two different functional groups. This includes a specific tethered functional group and a second functional group, which are installed in the monomer-forming reactions. Selected monomers were subjected to organo-catalytic ring opening polymerization to produce well-defined homopolymers and copolymers (ĐM ≥ 1.5) with controlled composition. Primary amine containing polymers were also readily accessed via post-polymerization acidolysis of a tBoc-derived monomer (2k). This approach will provide direct access to functional biodegradable polymers and impact the development of next-generation materials for biomedical and environmentally friendly products.
A Novel Technique of Odontoidoplasty and C1 Arch Reconstruction: Anatomical and Biomechanical Basis (2011)

C1 arch reconstruction with or without odontoidoplasty restores only partial angular stability of the atlantoaxial joint but provides restoration of the ability of the C1 lateral masses to resist splaying, often observed as postodontoidectomy cranial settling.
Sustained Reentry in the Left Ventricle of Fibrillating Pig Hearts (2003)

It has been proposed that ventricular fibrillation (VF) is driven by sustained reentry. However, mapping studies have not detected such "mother rotors" in large mammalian hearts. We mapped VF from three 21x12 unipolar electrode arrays in 6 pigs. Two of the arrays were adjacent to each other on the left-ventricular epicardium. Electrode spacing was 2 mm. The third array consisted of 21 needles (0.5-mm diameter, 12 electrodes, 1-mm spacing) inserted in a row (2-mm spacing) between the epicardial arrays. A total of 88 5-second VF epochs were analyzed with automatic reentry detection algorithms. Although intramural reentry was sporadically present (29 total occurrences), it was always short-lived with a mean life span of 127+/-57 ms. However, in 3 of the 6 animals, sustained epicardial reentry (ie, reentry persisting for more than a few cycles) was consistently present, often lasting for several seconds. For each epoch, we computed indices characterizing (1) the relative duration of reentry on the two epicardial arrays (R), (2) the flow of wavefronts between epicardial arrays (W), and (3) the relative activation rates of the two epicardial arrays (F). R did not correlate with either W or F indicating that rotor-containing regions did not produce a net outflow of wavefronts and were not faster than neighboring regions. Thus, sustained epicardial, but not intramural, rotors were consistently present in some large animal hearts during VF. However, we found no evidence that these rotors were responsible for sustaining VF through the mechanisms outlined in the mother rotor hypothesis.
Panchromatic Diffraction Gratings for Miniature Computationally Efficient Visual-bar-position Sensing (2015)

We describe the design and performance of an ultraminiature lensless computational sensor optimized for estimating the one-dimensional position of visual bars. The sensor consists of a special-purpose wavelength-robust optical binary phase diffraction grating affixed to a CMOS photodetector array. This grating does not produce a traditional high-quality human interpretable image on the photodetectors, but instead yields visual information relevant to the bar-position estimation problem. Computationally efficient algorithms then process this sensed information to yield an accurate estimate of the position of the bar. The optical grating is very small (120 µm diameter), has large angle of view (140 0), and extremely large depth of field (0.5 mm to infinity). The design of this sensor demonstrates the power of end-to-end optimization (optics and digital processing) for high accuracy and very low computational cost in a new class of ultraminiature computational sensors.
$sup 51$V(d, n$sub 0$)$sup 52$Cr reaction with polarized deuterons (1975)

The vector analyzing power of the $sup 51$V(d, n$sub 0$)$sup 52$Cr reaction has been measured for laboratory angles between 5 degree and 40 degree at a deuteron energy of 11 MeV. Distorted-wave calculations are in qualitative agreement with the observed angular dependence of the vector analyzing power. (AIP)
Contributions of Rare Gene Variants to Familial and Sporadic FSGS (2019)

Although our analysis validated many known FSGS-causing genes, we detected a nontrivial number of purported "disease-causing" variants in controls, implying that filtering is inadequate to allow clinical diagnosis and decision making. Genetic diagnosis in patients with FSGS is complicated by the nontrivial rate of variants in known FSGS genes among people without kidney disease.
All-optical switching using optical bistability in nonlinear photonic crystals (2003)

We demonstrate optical bistability in a class of non-linear photonic crystal devices, through the use of detailed numerical experiments, and analytical theory. Our devices are shorter than the wavelength of light in length, they can operate with only a few mW of power, and can be faster than 1ps.
Multiple-quality of protection classes including dual-failure survivable services in p-cycle networks (2005)

We develop design theory and related operating concepts to support multiple differentiated levels of survivability assurances for individual demands in a transport network that uses p-cycles as the basic protection method. Notably this includes an ultra-high availability (dual span failure protected) service class that is based on principles that are unique to p-cycles for dual failure protection without dynamic reconfiguration of p-cycles. Results show that p-cycle based networks operating this way could offer dual failure protection to as much as 30% of all demands in the test cases with essentially the same redundancy as the single-failure protected design. These ideas and methods can enhance the cost-competitiveness of transport network operators and enable a range of service offerings to best suit actual customer requirements on transport survivability.
High power scalable Nd:YAG laser architecture (2005)

Under the Joint High Power Solid-State Laser (JHPSSL) program, Northrop Grumman is developing a laser architecture that can scale to >100 kW with a near-term goal of a 25 kW demonstration. The laser concept uses a single master oscillator to drive parallel power-amplifier chains; output from the amplifier chains are tiled and phased (piston corrected) to provide a spatially coherent beam. Scaling is achieved by adding parallel amplifier chains.
Chemoradiotherapy‐induced increase in Th17 cell frequency in cervical cancer patients is associated with therapy resistance and early relapse (2021)

Cervical cancer therapy is still a major clinical challenge, as patients substantially differ in their response to standard treatments, including chemoradiotherapy (CRT). During cervical carcinogenesis, T-helper (Th)-17 cells accumulate in the peripheral blood and tumor tissues of cancer patients and are associated with poor prognosis. In this prospective study, we find increased Th17 frequencies in the blood of patients after chemoradiotherapy and a post-therapeutic ratio of Th17/CD4<sup>+</sup> T cells > 8% was associated with early recurrence. Furthermore, Th17 cells promote resistance of cervical cancer cells toward CRT, which was dependent on the AKT signaling pathway. Consistently, patients with high Th17 frequencies in pretherapeutic biopsies exhibit lower response to primary CRT. This work reveals a key role of Th17 cells in CRT resistance and elevated Th17 frequencies in the blood after CRT correspond with early recurrence. Our results may help to explain individual treatment responses of cervical cancer patients and suggest evaluation of Th17 cells as a novel predictive biomarker for chemoradiotherapy responses and as a potential target for immunotherapy in cervical cancer.