gebhart/patrepeval huggingface dataset:
CCT chaperonin complex is required for efficient delivery of anthrax toxin into the cytosol of host cells (2013)

Bacterial toxins have evolved successful strategies for coopting host proteins to access the cytosol of host cells. Anthrax lethal factor (LF) enters the cytosol through pores in the endosomal membrane formed by anthrax protective antigen. Although in vitro models using planar lipid bilayers have shown that translocation can occur in the absence of cellular factors, recent studies using intact endosomes indicate that host factors are required for translocation in the cellular environment. In this study, we describe a high-throughput shRNA screen to identify host factors required for anthrax lethal toxin-induced cell death. The cytosolic chaperonin complex chaperonin containing t-complex protein 1 (CCT) was identified, and subsequent studies showed that CCT is required for efficient delivery of LF and related fusion proteins into the cytosol. We further show that knockdown of CCT inhibits the acid-induced delivery of LF and the fusion protein LFN-Bla (N terminal domain of LF fused to β-lactamase) across the plasma membrane of intact cells. Together, these results suggest that CCT is required for efficient delivery of enzymatically active toxin to the cytosol and are consistent with a direct role for CCT in translocation of LF through the protective antigen pore.
Coal Liquefaction and the Electric Utility Industry (1979)

Coal liquefaction offers the utility industry an option, based on domestic energy resources, with which to meet its need for liquid fuels. In 1977, generation of electricity consumed, as shown in table 1, 188,000 BPD of distillate fuels and 1,469,000 BPD of residual oil. (1) TABLE I. The National Electrical Reliability Council projects in their August 1978 report, that this requirement will grow to 366,000 BPD and 1,809,000 BPD respectively by 1987. In addition, natural gas requirements which can be met by the substitution of clean liquid fuels will decline from the 1977 level of 1,209,000 BPD FOE (fuel oil equivalent) to a still substantial 457,000 BPD FOE. This combination calls for 2,632,000 BPD of hydrocarbon fuels in 1987. This same report discusses the potential for additional requirements for liquid fuels due to a one or two year delay in completion of coal and nuclear plants. If electricity growth averages 5.6% per
MMSE-Optimal Sequential Processing for Cell-Free Massive MIMO With Radio Stripes (2021)

Cell-free massive multiple-input-multiple-output (mMIMO) is an emerging technology for beyond 5G with its promising features such as higher spectral efficiency and superior spatial diversity as compared to conventional multiple-input-multiple-output (MIMO) technology. The main working principle of cell-free mMIMO is that many distributed access points (APs) cooperate simultaneously to serve all the users within the network without creating cell boundaries. This paper considers the uplink of a cell-free mMIMO system utilizing the radio stripe network architecture with a sequential fronthaul between the APs. A novel uplink sequential processing algorithm is developed, which is proved to be optimal in both the maximum spectral efficiency (SE) and the minimum mean square error (MSE) sense. A detailed quantitative analysis of the fronthaul requirement or signaling of the proposed algorithm and its comparison with competing sub-optimal algorithms is provided. Key conclusions and implications are summarized in the form of corollaries. Based on the analytical and numerical simulation results, we conclude that the proposed scheme can significantly reduce the fronthaul signaling, without compromising the communication performance.
Density Functional Theory Calculations of Ti−TEMPO Complexes:  Influence of Ancillary Ligation on the Strength of the Ti−O Bond (2006)

A series of mono(cyclopentadienyl)titanium TEMPO (2,2,6,6-tetramethylpiperidine-N-oxyl) complexes were investigated by density functional theory (DFT) calculations to study the influence of the ligands on the Ti−O bond energies. Mono-Cp complexes with pendant amino groups were found to possess significantly weaker Ti−O bonds than those lacking pendant donor ligands. On the basis of DFT predictions, a novel mono-Cp pendant dimethylamino complex, CpNTiCl2(TEMPO) (12; CpN = C5H4CH2CH2N(CH3)2), was identified as a mono-Cp titanium TEMPO complex with a weak Ti−O bond (25 kcal/mol). The calculated bond energy of this complex is comparable to that of Cp2TiCl(TEMPO) (3; 17 kcal/mol). Thermolysis of 12 in the presence of CCl4 at 100 °C resulted in the formation of CpNTiCl3, consistent with the predicted low Ti−O bond energy.
Ring opening polymerization of ε-caprolactone in the presence of wet β-cyclodextrin: effect of the operative pressure and of water molecules in the β-cyclodextrin cavity (2016)

Wet β-cyclodextrin under pressure behaves similarly to lipase enzymes in the ring opening polymerization of ε-caprolactone in bulk.
A rule-based energy management strategy for a series hybrid vehicle (1997)

A rule-based control and energy management strategy for a series hybrid vehicle is presented. The strategy is based on splitting the power demand between the engine and the battery such that these power sources are operated at high efficiency. The power demand is estimated as the output of a high gain PI controller that controls the longitudinal acceleration of the vehicle. The focus was to improve the fuel economy of the vehicle by suitable power assignment to the power sources. This power split (assignment) is implemented under a rule-base frame. The rules depend on the values of selected variables: the power demand itself, the driver's acceleration command and the status of the SOC (state of charge) of the battery. The rules ensure that the engine and the battery operate at high efficiency whenever possible. At high power demand the engine will operate at its maximum rated power. Simulation results of the proposed strategy showed improvement in fuel economy over the "thermostat" strategy. An improvement of 11% in the urban cycle and of 6% in the highway cycle have been achieved for a series hybrid vehicle driven by a 40 KW diesel engine and a 60 kW lead acid battery.
Regulation of astrocyte inflammatory responses by the Parkinson's disease‐associated gene DJ–1 (2009)

The Parkinson's disease (PD)-associated gene DJ-1 mediates direct neuroprotection. The up-regulation of DJ-1 in reactive astrocytes also suggests a role in glia. Here we show that DJ-1 regulates proinflammatory responses in mouse astrocyte-rich primary cultures. When treated with a Toll-like receptor 4 agonist, the bacterial endotoxin lipopolysaccharide (LPS), Dj-1-knockout astrocytes generated >10 times more nitric oxide (NO) than littermate controls. Lentiviral reintroduction of DJ-1 restored the NO response to LPS. The enhanced NO production in Dj-1(-/-) astrocytes was mediated by a signaling pathway involving reactive oxygen species leading to specific hyperinduction of type II NO synthase [inducible NO synthase (iNOS)]. These effects coincided with significantly increased phosphorylation of p38 mitogen-activated protein kinase (MAPK), and p38(MAPK) inhibition suppressed NO production and iNOS mRNA and protein induction. Dj-1(-/-) astrocytes also induced the proinflammatory mediators cyclooxygenase-2 and interleukin-6 significantly more strongly, but not nerve growth factor. Finally, primary neuron cultures grown on Dj-1(-/-) astrocytes became apoptotic in response to LPS in an iNOS-dependent manner, directly demonstrating the neurotoxic potential of astrocytic DJ-1 deficiency. These findings identify DJ-1 as a regulator of proinflammatory responses and suggest that loss of DJ-1 contributes to PD pathogenesis by deregulation of astrocytic neuroinflammatory damage.
A new metal cloth stationary seal for gas turbine applications (1997)

There are numerous opportunities for advanced seals in modern gas turbines; the need for better seals is driven by higher efficiency demands. In this work a systematic way of utilizing metal cloth as a stationary seal is presented. The primary advantage of the cloth seal over the current rigid seals is to provide flexibility in the junctions between turbine components and to minimize the wear and leakage by accommodating mismatches between the components. A number of steps has been taken in the development of a metal cloth seal. 1) The effect of cloth weave orientation on sealing has been investigated. The effect of the cloth weave and wire orientation on wear rates has been studied. The type of weave has a strong effect on wear rates and leakage characteristics of the metal cloth. 2) Several superalloy wires in cloth form have been wear tested against gas turbine materials; this has been followed by oxidation/corrosion tests. 3) The formability of the metal cloth was studied. Several designs have been developed for various locations of the engine. The design and results of a particular application will be presented in this paper. Prototype seals were made and tested for the combustor exit location. Previously, stationary brush seals were developed and tested for this location; these reduced leakage by a factor of three and wear by a factor of ten compared to the current static seals. In this iteration, the metal cloth seal used at the same location showed approximately the same improvement a brush seal, with significantly reduced cost.
Ten Years of Progress in the Synthesis and Development of MXenes (Adv. Mater. 39/2021) (2021)

MXenes In article number 2103393, Michael Naguib, Michel W. Barsoum, and Yury Gogotsi present a brief historical overview of the first 10 years of MXene research and a perspective on their synthesis and future development. The cover shows a colored SEM image of a multilayer Ti3C2 MXene particle with an accordion-like morphology, which is produced by individual MXene layers stacked together. The variety of colors represents the diversity of MXene structures and compositions. Image Credit: The SEM image was taken by Dr. Tyler Mathis and colored by Dr. Armin VahidMohammadi.
Gesture based Input Device: An All Inertial Approach (2005)

In this paper, we develop a gesture-based input device equipped with accelerometers and gyroscopes. The sensors measure the inertial measurements, i.e., accelerations and angular velocities produced by the movement of the system when a user is inputting gestures on a plane surface or in a 3D space. The gyroscope measurements are integrated to give orientation of the device and consequently used to compensate the accelerations. The compensated accelerations are doubly integrated to yield the position of the device. With this approach, a user's gesture input trajectories can be recovered without any external sensors. Three versions of motion tracking algorithms are provided to cope with wide spectrum of applications. Then, a Bayesian network based recognition system processes the recovered trajectories to identify the gesture class. Experimental results convincingly show the feasibility and effectiveness of the proposed gesture input device. In order to show practical use of the proposed input method, we implemented a prototype system, which is a gesture-based remote controller (Magic Wand).
ChemInform Abstract: A General Copper‐Catalyzed Synthesis of Diaryl Ethers. (1998)

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.
Supplementary Figures 1-4 from CCT241533 Is a Potent and Selective Inhibitor of CHK2 that Potentiates the Cytotoxicity of PARP Inhibitors (2023)

Supplementary Figures 1-4 from CCT241533 Is a Potent and Selective Inhibitor of CHK2 that Potentiates the Cytotoxicity of PARP Inhibitors
BERT-ATTACK: Adversarial Attack Against BERT Using BERT (2020)

Adversarial attacks for discrete data (such as texts) have been proved significantly more challenging than continuous data (such as images) since it is difficult to generate adversarial samples with gradient-based methods. Current successful attack methods for texts usually adopt heuristic replacement strategies on the character or word level, which remains challenging to find the optimal solution in the massive space of possible combinations of replacements while preserving semantic consistency and language fluency. In this paper, we propose BERT-Attack, a high-quality and effective method to generate adversarial samples using pre-trained masked language models exemplified by BERT. We turn BERT against its fine-tuned models and other deep neural models in downstream tasks so that we can successfully mislead the target models to predict incorrectly. Our method outperforms state-of-theart attack strategies in both success rate and perturb percentage, while the generated adversarial samples are fluent and semantically preserved. Also, the cost of calculation is low, thus possible for large-scale generations. The code is available at https://github.com/ LinyangLee/BERT-Attack.
Herausforderungen für die akademische Wirkstoff‐Forschung (2012)

Modus Operandi: An Universitäten und in anderen gemeinnützigen Organisationen sind das Interesse an und Aktivitäten in der Wirkstoff-Forschung deutlich gewachsen. Dieser Essay befasst sich mit den Herausforderungen, denen man sich bei Fortschritten in diesem Bereich gegenübersieht. Leitstrukturoptimierung und präklinische Tests werden als wichtige Engpässe identifiziert.
Ab initiotheory of polar semiconductor surfaces. II. (22) reconstructions and related phase transitions of GaAs(1¯1¯1¯) (1987)

The (2\ifmmode\times\else\texttimes\fi{}2) reconstructions of GaAs(1\ifmmode\bar\else\textasciimacron\fi{} 1\ifmmode\bar\else\textasciimacron\fi{} 1\ifmmode\bar\else\textasciimacron\fi{}) are studied with use of a theoretical approach based on the calculation of the total energy in the context of density-functional theory and the pseudopotential approximation. New models are proposed for the As-rich and Ga-rich reconstructions. The relative chemical potential plays a crucial role in determining the lowest-energy configuration. The total-energy versus chemical-potential curves indicate the possibility of phase transitions between different configurations. One such transition concerning the experimentally observed (\ensuremath{\surd}19 \ifmmode\times\else\texttimes\fi{} \ensuremath{\surd}19 ) reconstruction can be explained as an intermediate phase between the proposed low-energy (2\ifmmode\times\else\texttimes\fi{}2) reconstructions.
Real Time Prediction of Sclera Force with LSTM Neural Networks in Robot-Assisted Retinal Surgery (2020)

Retinal microsurgery is one of the most technically demanding surgeries, during which the surgical tool needs to be inserted into the eyeball and is constantly constrained by the sclerotomy port. During the surgery, any unexpected manipulation could cause extreme tool-sclera contact force leading to sclera damage. Although, a robot assistant could reduce hand tremor and improve the tool positioning accuracy, it cannot prevent or alarm the surgeon about the upcoming danger caused by surgeon's misoperations, i.e., applying excessive force on the sclera. In this paper, we present a new method based on a Long Short Term Memory recurrent neural network for predicting the user behavior, i.e., the contact force between the tool and sclera (sclera force) and the insertion depth of the tool from sclera contact point (insertion depth) in real time (40Hz). The predicted force information is provided to the user through auditory feedback to alarm any unexpected sclera force. The user behavior data is collected in a mock retinal surgical operation on a dry eye phantom with Steady Hand Eye Robot and a novel multi-function sensing tool. The Long Short Term Memory recurrent neural network is trained on the collected time series of sclera force and insertion depth. The network can predict the sclera force and insertion depth 100 milliseconds in the future with 95.29% and 96.57% accuracy, respectively, and can help reduce the fraction of unsafe sclera forces from 40.19% to 15.43%.
Performance investigation of data transmission in wireless power transfer with coil displacements (2013)

This paper investigates the relationship between antenna position and data communication performance in a magnetic resonance wireless power transfer (MRWPT) system. In MRWPT information such as the types of equipments, the required amount of electrical power, or the timing of power transfer should be transmitted from the antenna. It is assumed here that power transfer coils in the MRWPT system are employed as antennas for data communication. The frequency characteristic of the antennas change due to coil displacements. The power transfer coils are modeled as a band pass filter (BPF) and the frequency responses of the filter are presented in this paper. The characteristics of the filter are derived through circuit simulation and resulting data communication performance is evaluated. Numerical results obtained through computer simulation show that the bit error late (BER) performance can be improved by controlling the center frequency of the communication link.
Macrocyclic [CuI/II(bite)]+/2+ (bite = biphenyldiimino dithioether):  An Example of Fully-Gated Electron Transfer and Its Biological Relevance1 (1997)

Template condensation of 2,2‘-diaminobiphenyl, 1,4-bis(2-formylphenyl)-1,4-dithiabutane, and copper(II) tetrafluoroborate yields the new macrocyclic compound [CuI(bite)](BF4) (bite = biphenyldiimino dithioether). [CuI(bite)]BF4 crystallizes in the orthorhombic space group P212121 with a = 14.379(3) Å, b = 21.370(3) Å, c = 8.046(2) Å, V = 2534.7(7) Å3, Z = 4, R1 = 0.045, and R2 = 0.048. The X-ray structure of [CuI(bite)](BF4) reveals distorted tetrahedral N2S2 coordination about copper, with one unusually short Cu−S(thioether) bond of 2.194(2) Å. Oxidation of [CuI(bite)](BF4) with nitrosyl tetrafluoroborate gives [CuII(bite)](BF4)2. [CuII(bite)](BF4)2 crystallizes in the tetragonal space group I41/a with a = 11.640(2) Å, c = 39.527(3) Å, V = 5355.6(7) Å3, Z = 8, R1 = 0.061, and R2 = 0.063. X-ray crystallography of [CuII(bite)](BF4)2 reveals an approximately square planar CuN2S2 structure with two distant axial BF4- anions (Cu−F 2.546(4) Å) completing a “pseudo-octahedral” coordination sphere. Comparative EXAFS studies of solid samples and acetonitrile solutions of [CuI(bite)](BF4) and [CuII(bite)](BF4)2 demonstrate that the primary coordination environments of both species are the same in solution as in the solid. Copper(I/II) electron self-exchange kinetics measured by 1H NMR line broadening of [CuI(bite)]+ in the presence of [CuII(bite)]2+ reveal an overall first-order process with a rate constant of 21.7(1.9) s-1 at 295 K in acetone-d6. This result represents the first example of fully-gated electron transfer by small-molecule copper(I). The gating process likely involves inversion at sulfur and the tetrahedral → square planar structural change coincident with electron transfer. Variable-temperature 1H NMR coalescence temperatures for methylene ligand protons of [CuI(bite)](BF4) (287 K) demonstrate possible correlation of fast electron transfer with high ligand mobility for this and related small-molecule copper(I/II) couples. Comparison with other small-molecule copper systems also reveals that fast electron transfer is not always observed with coordination-number-invariance and conserved geometry during redox turnover, contrary to popular interpretations of the entatic state hypothesis for blue-copper protein active sites.
Analysis of sperm motility using optical tweezers (2006)

This study examines the use of optical trapping as a quantitative measure of sperm motility. The effects of laser trap duration and laser trapping power on sperm motility are described between sperm swimming force, swimmimg speed, and speed of progression (SOP) score. Sperm (SOP scores of 2-4) were trapped by a continuous-wave 1064 nm single-point gradient laser trap. Trap duration effects were quantified for 15, 10, and 5 seconds at 420 mW laser power. Laser power effects were quantified at powers of 420 mW, 350 mW, 300 mW, and 250 mW for five seconds. Swimming force, swimming speed, and SOP score relationships were examined at a trap duration and trapping power shown to minimally affect sperm motility. Swimming forces were measured by trapping sperm and subsequently decreasing laser power until the sperm escaped the trap. Swimming trajectories were calculated by custom-built software, and SOP scores were assigned by three qualified sperm scoring experts. A ubiquitous class of sperm were identified that swim with relatively high forces that are uncorrelated to swimming speed. It is concluded that sperm swimming forces measured by optical trapping provide new and valuable quantitative information to assess sperm motility.
Organoaluminum Compounds in Catalytic Enantioselective C C Bond Forming Reactions (2016)

Abstract Differentorganoaluminum compounds have found use as reagents in catalytic enantioselective CC bond forming reactions. A hallmark of these processes is their efficiency, which is largely rooted in their high activity (especially versus a dialkylzinc species) and stronger Lewis acidity of the corresponding metal center (e.g., as opposed to an organomagnesium). Specifically, readily available trialkylaluminum compound such as Me 3 Al and Et 3 Al have been utilized in reactions that involve carbonyl‐ or imine‐containing compounds as well as allylic phosphates (allylic substitutions) or α,β‐unsaturated ketones or esters (conjugate additions). Notable are transformations where an alkenyl, an alkynyl or an arylaluminum reagent is generated in situ by hydroalumination or deprotonation of an alkyne or from the reaction of an aryl or heteroaryllithium or magnesium halide with an inexpensive dialkylaluminumhalide. When dialkyl(alkenyl)‐, dialkyl(alkynyl) or dialkyl(aryl)aluminum compounds are involved, it is the unsaturated moiety that is transferred predominantly. Applications to synthesis of biologically active compounds that involve the use of the above transformations will be presented.
Dynamic addressing memory arrays with physical locality (2002)

As pipeline width and depth grow to improve performance, memory arrays in microprocessors are growing in entries and ports. Arrays will increase in physical size, which prolongs the access time due to wiring delay. In order to boost clock frequency, these memory arrays must take multiple cycles to complete an access. This delays the scheduling of dependent instructions and affects overall performance. This paper proposes a different circuit organization to enable fast and slow accesses solely dependent on physical locality. Since the access time depends on a fixed physical location, it is pre-determined to scheduling dependent instructions. Furthermore, this paper presents a mechanism to re-configure the address decoding of the physical register file to increase the occurrence of fast accesses. Detailed circuit simulation using this proposed method determines the access cycle time. Reduction in average access cycle time for the register file and the first level data cache recovers 73% of the IPC degradation.