gebhart/patrepeval huggingface dataset:
Predicting and Tuning Physicochemical Properties in Lead Optimization: Amine Basicities (2007)

This review describes simple and useful concepts for predicting and tuning the pK(a) values of basic amine centers, a crucial step in the optimization of physical and ADME properties of many lead structures in drug-discovery research. The article starts with a case study of tricyclic thrombin inhibitors featuring a tertiary amine center with pK(a) values that can be tuned over a wide range, from the usual value of around 10 to below 2 by (remote) neighboring functionalities commonly encountered in medicinal chemistry. Next, the changes in pK(a) of acyclic and cyclic amines upon substitution by fluorine, oxygen, nitrogen, and sulfur functionalities, as well as carbonyl and carboxyl derivatives are systematically analyzed, leading to the derivation of simple rules for pK(a) prediction. Electronic and stereoelectronic effects in cyclic amines are discussed, and the emerging computational methods for pK(a) predictions are briefly surveyed. The rules for tuning amine basicities should not only be of interest in drug-discovery research, but also to the development of new crop-protection agents, new amine ligands for organometallic complexes, and in particular, to the growing field of amine-based organocatalysis.
Enantioselective Synthesis of a Phenylalanine Library Containing Alkyl Groups on the Aromatic Moiety: Confirmation of Stereostructure by X-Ray Analysis (2006)

Six phenylalanine analogues containing 2'-methyl-, 2',6'-dimethyl-, 2'-ethyl-6'-methyl-, 2'-isopropyl-6'-methyl-, 2',4',6'-trimethyl-, and 3',5'-dimethyl-L-phenylalanine were synthesized enantioselectively through asymmetric hydrogenation of acetamidoacrylate derivatives. Enzymatic digestion and X-ray analysis supported the L-configuration of the phenylalanine derivatives obtained.
Improved Aedes aegypti mosquito reference genome assembly enables biological discovery and vector control (2017)

Female Aedes aegypti mosquitoes infect hundreds of millions of people each year with dangerous viral pathogens including dengue, yellow fever, Zika, and chikungunya. Progress in understanding the biology of this insect, and developing tools to fight it, has been slowed by the lack of a high-quality genome assembly. Here we combine diverse genome technologies to produce AaegL5, a dramatically improved and annotated assembly, and demonstrate how it accelerates mosquito science and control. We anchored the physical and cytogenetic maps, resolved the size and composition of the elusive sex-determining “M locus”, significantly increased the known members of the glutathione-S-transferase genes important for insecticide resistance, and doubled the number of chemosensory ionotropic receptors that guide mosquitoes to human hosts and egg-laying sites. Using high-resolution QTL and population genomic analyses, we mapped new candidates for dengue vector competence and insecticide resistance. We predict that AaegL5 will catalyse new biological insights and intervention strategies to fight this deadly arboviral vector.
Robust Polarization-Based Quantum Key Distribution over a Collective-Noise Channel (2004)

We present two polarization-based protocols for quantum key distribution. The protocols encode key bits in noiseless subspaces or subsystems and so can function over a quantum channel subjected to an arbitrary degree of collective noise, as occurs, for instance, due to rotation of polarizations in an optical fiber. These protocols can be implemented using only entangled photon-pair sources, single-photon rotations, and single-photon detectors. Thus, our proposals offer practical and realistic alternatives to existing schemes for quantum key distribution over optical fibers without resorting to interferometry or two-way quantum communication, thereby circumventing, respectively, the need for high precision timing and the threat of Trojan horse attacks.
A study of correlation between prosthetic breast reconstruction, antibiotic prophylaxis and surgical wound drains (2017)

The primary aim of this investigation into the correlation between prosthetic breast reconstruction, antibiotic prophylaxis and surgical drains was to determine whether the short-term prophylaxis recommended in the current guidelines is in fact able to sterilize the peri-prosthetic pocket in patients undergoing prosthetic breast reconstruction via tissue expansion, permanent implant placement, or Becker implants, as well as augmentation to correct symmetry. Methods: A total of 96 women who had undergone prosthetic breast reconstruction surgery were considered. Patients were recruited from the Plastic Surgery Clinic, Gemona, and the Surgery Clinic, Udine, both affiliated with the Udine "Santa Maria della Misericordia" University Hospital between May 2013 and May 2014. All patients were administered the recommended short-term antibiotic prophylaxis, i.e. 2 g cephazolin (plus 1 g eventually given after 3.5 h of surgery) 30 min before surgery. Records pertaining to each patient were kept in a specific study chart. Results: Samples of peri-prosthetic drainage fluid were taken from 92.5% of the recipients of breast reconstruction/implant surgery. Only 2.3% of the samples analyzed were found to be positive for microbial strains.
Bungie: Improving Fault Tolerance via Extensible Application-Level Protocols (2021)

We present Bungie, an approach based on applicationlevel protocols that precisely capture the causality inherent to the interactions among agents. We show through patterns and examples how Bungie provides abstractions for achieving fault tolerance.
All-optical ultra-wideband tightly-coupled phased antenna array (2014)

We present an “end-to-end optical” phased-array transmitter system concept, taking maximal advantage of the benefits inherent to photonics. Specifically, an ultra-widely tunable carrier signal generator, comprising a pair of offset injection-locked lasers, illuminates an array of photodiodes mounted directly at the feed points of an array of tightly coupled, wideband, low-gain antenna elements. Both high-speed data and beam-forming are imparted onto one of the laser wavelengths by optical modulators in the feed paths to each individual element. This modulation is preserved upon downconversion at the photodiodes, which comprise nearly ideal current sources driving each element of a tightly-coupled-array antenna.
Micromachined Thin-Film MI Elements (2004)

A micromachined magnetoimpedance (MI) element was developed and its MI properties were investigated. Consisting of a SiN/Al/NiFe/SiO2 film, it was prepared on a Si (100) wafer and fabricated by photolithography and etching. Ni80Fe20 film with nearly zero magnetostriction prepared by bias magnetron sputtering under a magnetic field was adopted as a magnetic layer in the MI element, and magnetic anisotropy was induced parallel to the current direction. Sensitivity corresponding to the maximum fractional change in impedance increased with thickness and length, and was greatest for a width of 20 μm. The values for whick the MI element had the best properties were 38 % for the sensitivity, 1446 ppm/°C for the temperature coefficient of impedance and 712 ppm/°C for the temperature coefficient of sensitivity. These values were much better than those of conventional magnetoresistance (MR) sensors. Therefore, these micromachined MI elements have great potential for use in integrated magnetic sensors.
[Trypsin inhibitors in soy bean-based food: critical review of thermal destruction kinetics, and analytical methods]. (1983)

The possible kinetic mechanisms for thermal destruction of trypsin inhibitors (TI) are analyzed in this work, based on literature data and on the authors'data. The authors suggest that first order kinetics describes the destruction mechanism. On the other hand, it is demonstrated that temperature effects on the reaction rate constant for thermal destruction of TI can be quantified in terms of Arrhenius' equation. The kinetic data are used for illustrating thermal process optimization, maximizing microorganisms and TI destruction, and minimizing the destruction of a nutrient. The analytical methods for TI activity determination are discussed, with special emphasis on the AACC Official Method. The authors show that the original method for calculating TI activity is neither correct nor appropriate. The same can be said about several recent modifications. In order to solve this situation, the authors developed a mechanistic model, to explain the reactions occurring in the reaction mixture, when analyzing TI activity. Furthermore, it is demonstrated in this paper that the model solves the uncertainties and calculation problems found in the AACC Official Method and in its modifications. Lastly, some practical suggestions for the application of the new calculation method are proposed.
Mechanical reliabilty of MEMS fabricated by a special technology using standard silicon wafers (2003)

This paper presents a new process flow for the fabrication of Air gap Insulated Microstructures (AIM) with strengthened interconnection beams based on standard single crystal silicon wafers. The main focus on the new development was set on the attributes of reliability and fatigue. As a result of our investigations, the interconnection beams were identified as weakest point in the system. To improve the quality of the beams, several material stacks with well defined properties were tested in order to find a suitable material stack for the interconnection beams instead of pure aluminum. The new process flow enables the use of layered structured beams without loosing any of the advantages of the AIM technology and also without increasing the number of masks.
Potential Mechanisms of Sensory Augmentation Systems on Human Balance Control (2018)

Numerous studies have demonstrated the real-time use of visual, vibrotactile, auditory, and multimodal sensory augmentation technologies for reducing postural sway during static tasks and improving balance during dynamic tasks. The mechanism by which sensory augmentation information is processed and used by the CNS is not well understood. The dominant hypothesis, which has not been supported by rigorous experimental evidence, posits that observed reductions in postural sway are due to sensory reweighting: feedback of body motion provides the CNS with a correlate to the inputs from its intact sensory channels (e.g., vision, proprioception), so individuals receiving sensory augmentation learn to increasingly depend on these intact systems. Other possible mechanisms for observed postural sway reductions include: cognition (processing of sensory augmentation information is solely cognitive with no selective adjustment of sensory weights by the CNS), "sixth" sense (CNS interprets sensory augmentation information as a new and distinct sensory channel), context-specific adaptation (new sensorimotor program is developed through repeated interaction with the device and accessible only when the device is used), and combined volitional and non-volitional responses. This critical review summarizes the reported sensory augmentation findings spanning postural control models, clinical rehabilitation, laboratory-based real-time usage, and neuroimaging to critically evaluate each of the aforementioned mechanistic theories. Cognition and sensory re-weighting are identified as two mechanisms supported by the existing literature.
Deposition of Hydrogenated Microcrystalline Films of CdTe by Chemical Sputtering in Hydrogen (1988)

Films of CdTe are deposited by chemical sputtering of a CdTe target in hydrogen gas. X-ray diffraction patterns show that the films are composed of microcrystals of cubic CdTe with a grain size of 15∼30 nm. The films contain a trace amount of hydrogen in the form of the Cd–H (and presumably Te–H 2 ) bonds. This hydrogen is evolved during the thermal treatment of the film above 100degC, as the grain size of the microcrystal grows. The deposition rate is also reduced when the substrate temperature increases up to 100degC or more.
Interventionelle Therapie der akuten Lungenembolie (2004)

Dieser Kurs ist für die Aktualisierung der Fachkunde nach RöV von der Ärztekammer Hessen zertifiziert.
Use of COMTRADE Fault Current Data to Test Inductive Current Transformers (2019)

This paper presents a study on the inductive current transformer behaviour when subjected to distorted actual waveforms. Typical tools adopted to deal with such a condition, as the well-known ratio error, phase error, frequency response, etc. not always provide satisfactory results in all the possible operating condition. In addition, Standards lack in detailing which actual distorted waveforms need to be used to test the transformers. To this purpose, the paper introduces both the use of particular actual fault current waveforms and a simple index for testing the performance of the transformer. Preliminary results show its helpfulness when applied to particular waveforms.
Estimating Function Based Cross-Validation and Learning (2005)

Suppose that we observe a sample of independent and identically distributed realizations of a random variable. Given a model for the data generating distribution, assume that the parameter of interest can be characterized as the parameter value which makes the population mean of a possibly infinite dimensional estimating function equal to zero. Given a collection of candidate estimators of this parameter, and specification of the vector estimating function, we propose cross-validation criteria for selecting among these estimators. This cross-validation criteria is defined as the Euclidean norm of the empirical mean over the validation sample of the estimating function at the candidate estimator based on the training sample. We establish a finite sample inequality of this method relative to an oracle selector, and illustrate it with some examples. This finite sample inequality provides us with asymptotic equivalence of the selector with the oracle selector under general conditions. We also study the performance of this method in the case that the parameter of interest itself is path-wise differentiable (and thus, in principle, root-$n$ estimable), and show that the cross-validated selected estimator is typically efficient, and, at certain data generating distributions, superefficient (and thus non-regular). Finally, we combine 1) the selection of sequence of subspaces of the parameter space (i.e., a sieve), 2) the estimating equation as empirical criteria to generate a candidate estimator for each subspace, and 3) estimating function based cross-validation selector to select among the candidate estimators, in order to provide a new unified estimating function based methodology. In particular, we formally establish a finite sample inequality for this general estimator in the case that one uses epsilon-nets as sieve, and point out that this finite sample inequality corresponds with minimax adaptive rates of convergence w.r.t. to the norm implied by the estimating function.
Conformational Transitions of the Three Recombinant Domains of Human Serum Albumin Depending on pH (2000)

Human serum albumin (HSA) is a protein of 66.5 kDa that is composed of three homologous domains, each of which displays specific structural and functional characteristics. HSA is known to undergo different pH-dependent structural transitions, the N-F and F-E transitions in the acid pH region and the N-B transition at slightly alkaline pH. In order to elucidate the structural behavior of the recombinant HSA domains as stand-alone proteins and to investigate the molecular and structural origins of the pH-induced conformational changes of the intact molecule, we have employed fluorescence and circular dichroic methods. Here we provide evidence that the loosening of the HSA structure in the N-F transition takes place primarily in HSA-DOM III and that HSA-DOM I undergoes a structural rearrangement with only minor changes in secondary structure, whereas HSA-DOM II transforms to a molten globule-like state as the pH is reduced. In the pH region of the N-B transition of HSA, HSA-DOM I and HSA-DOM II experience a tertiary structural isomerization, whereas with HSA-DOM III no alterations in tertiary structure are observed, as judged from near-UV CD and fluorescence measurements.
Robotic Grasp Detection using Deep Convolutional Neural Networks (2016)

Deep learning has significantly advanced computer vision and natural language processing. While there have been some successes in robotics using deep learning, it has not been widely adopted. In this paper, we present a novel robotic grasp detection system that predicts the best grasping pose of a parallel-plate robotic gripper for novel objects using the RGB-D image of the scene. The proposed model uses a deep convolutional neural network to extract features from the scene and then uses a shallow convolutional neural network to predict the grasp configuration for the object of interest. Our multi-modal model achieved an accuracy of 89.21% on the standard Cornell Grasp Dataset and runs at real-time speeds. This redefines the state-of-the-art for robotic grasp detection.
37.2: Efficiency Improvement of Fluorescent Blue Device by Molecular Orientation of Blue Dopant (2013)

Abstract The relationship between molecular shape of fluorescent blue dopants (BDs) and molecular orientation factor was studied. BDs with larger ovality showed higher orientation factor and higher EQE over 10% in a fluorescent blue device. Impedance spectroscopy, transient EL spectroscopy and optical simulation results highly indicate that such high EQE is originated mainly from the optical effect of horizontal‐aligned BDs. Furthermore, a higher EQE of 11.5% at a current density of 10mA/cm 2 was successfully achieved by modifying molecular structure of BD.
Correction to Synthesis and Biological Profile of the pan-Vascular Endothelial Growth Factor Receptor/Tyrosine Kinase with Immunoglobulin and Epidermal Growth Factor-Like Homology Domains 2 (VEGF-R/TIE-2) Inhibitor 11-(2-Methylpropyl)-12,13-dihydro-2-methyl-8-(pyrimidin-2-ylamino)-4H-indazolo[5,4-a]pyrrolo[3,4-c]carbazol-4-one (CEP-11981): A Novel Oncology Therapeutic Agent (2012)

ADVERTISEMENT RETURN TO ISSUEPREVAddition/CorrectionORIGINAL ARTICLEThis notice is a correctionCorrection to Synthesis and Biological Profile of the pan-Vascular Endothelial Growth Factor Receptor/Tyrosine Kinase with Immunoglobulin and Epidermal Growth Factor-Like Homology Domains 2 (VEGF-R/TIE-2) Inhibitor 11-(2-Methylpropyl)-12,13-dihydro-2-methyl-8-(pyrimidin-2-ylamino)-4H-indazolo[5,4-a]pyrrolo[3,4-c]carbazol-4-one (CEP-11981): A Novel Oncology Therapeutic AgentRobert L. Hudkins*, Nadine C. Becknell, Allison L. Zulli, Ted L. Underiner, Thelma S. Angeles, Lisa D. Aimone, Mark S. Albom, Hong Chang, Sheila J. Miknyoczki, Kathryn Hunter, Susan Jones-Bolin, Hugh Zhao, Edward R. Bacon, John P. Mallamo, Mark A. Ator, and Bruce A. Ruggeri*Cite this: J. Med. Chem. 2012, 55, 8, 4025Publication Date (Web):April 4, 2012Publication History Published online4 April 2012Published inissue 26 April 2012https://pubs.acs.org/doi/10.1021/jm300413fhttps://doi.org/10.1021/jm300413fcorrectionACS PublicationsCopyright © 2012 American Chemical Society. This publication is available under these Terms of Use. Request reuse permissions This publication is free to access through this site. Learn MoreArticle Views783Altmetric-Citations1LEARN 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 PDF (118 KB) Get e-Alertsclose Get e-Alerts
Internal and External Tibial Rotation Strength after Anterior Cruciate Ligament Reconstruction Using Ipsilateral Semitendinosus and Gracilis Tendon Autografts (2000)

The internal and external tibial rotation torques of subjects who had undergone anterior cruciate ligament reconstruction using semitendinosus and gracilis tendon grafts were measured to determine whether harvest of the tendons results in weakness of tibial internal and external rotation. Cybex NORM dynamometer examinations were performed to measure internal and external tibial torque at angular velocities of 60, 120, and 180 deg/sec in 23 subjects. The sex-specific average torque data of the reconstructed limbs were compared with those of the contralateral limbs. Relative internal and external torque scores were calculated for each subject by subtracting the peak torque of the reconstructed knee from that of the contralateral knee. These relative scores were averaged and compared with the null hypothesis that each score should be statistically similar to zero. Subjects were evaluated at an average of 51 +/- 40 months postoperatively. The mean relative internal torque scores of the reconstructed limbs showed a statistically significant decrease from those of the contralateral limbs at all angular velocities. The mean relative external torque scores of the reconstructed limbs were statistically similar to those of the contralateral limbs at all angular velocities. Subjects who had undergone ligament reconstruction using semitendinosus and gracilis tendons demonstrated internal tibial rotation weakness in their reconstructed knees compared with their contralateral knees at all angular velocities tested. These results suggest that semitendinosus and gracilis tendon harvest causes weakness of internal tibial rotation.
Toward Code Generation: A Survey and Lessons from Semantic Parsing (2021)

With the growth of natural language processing techniques and demand for improved software engineering efficiency, there is an emerging interest in translating intention from human languages to programming languages. In this survey paper, we attempt to provide an overview of the growing body of research in this space. We begin by reviewing natural language semantic parsing techniques and draw parallels with program synthesis efforts. We then consider semantic parsing works from an evolutionary perspective, with specific analyses on neuro-symbolic methods, architecture, and supervision. We then analyze advancements in frameworks for semantic parsing for code generation. In closing, we present what we believe are some of the emerging open challenges in this domain.