cssi/SciSciGPT-SciSciNet huggingface dataset:
Stable and Reversible Functionalization of the Native Phosphate Groups on Live Cells

Surface modification of live cells has important biomedical and therapeutic applications. Current methods to label cells require artificial cell surface engineering (via metabolic, docking or anchoring methods) before conjugative chemistries, which is not always trivial to accomplish and/or not appropriate for multiple cell types. A new method without the need of initial cell surface anchoring will greatly facilitate live cell surface labelling. Herein, we provide a general strategy for live cell functionalization that utilizes the native phosphate groups on every cell. We have designed a dual conjugation cargo molecule with a cationic side chain for non-covalent bonds with the negatively-charged cell surface and a phosphoric acid containing ligand for covalent bonding with the cell membrane phospholipid phosphate. Our dual conjugation strategy on live cell surfaces is non-toxic with enhanced stability to functionalize live cells. This provides a stable, reversible and reusable reagent with direct conjugation strategy to image live cell membranes.
Professionals’ self-rated quality of care and its relation to competence, national guidelines and policies - a cross-sectional study among Finnish elderly care workers

In the future, elderly care workers need to have competence of various different conditions due to greater amount of multimorbid elderly. Further, knowledge of national level guidelines is important since they are closely linked to improving quality of care and implementing better practices at work places. The impact of national level guidelines on quality of care at care units is, however, not widely examined in the Finnish context. In this study, the aim was to find out if worker’s experience of his/her own competence is associated with quality of care. Secondly, we aimed to see how common is addressing national guidelines and policies at workplaces, and if they are associated with quality of care. Thirdly, we aimed to see whether there are differences between different occupational statuses in competence and addressing national guidelines and policies. Total number of respondents was 1997 from 273 different units. Xtreg procedure was used for examining the associations of age, occupational status, unit type, professional competence and addressing the guidelines and policies with quality of care. Higher grade for QoC was associated with age, supervisor position, working in institutionalized care, better competence in supporting the self-determination of a person with memory disorders and falls prevention and addressing the act for elderly care and memory policy. This study demonstrated that national policies and guidelines are not widely addressed among Finnish elderly care workers. The study also showed that experienced competence of workers and discussion of policies and guidelines are related to quality of care. Especially competence related to memory disorders was associated with higher QoC. However, the relationship between quality of care and things influencing it seems complex and a major part of the variation in QoC remained unexplained. Although the relationships between guidelines, competences and quality of care are weak, national policies and competences seem to have impact on actual care provided. Therefore, sufficient time to address the guidelines should be provided at workplace and competences developed, which can be seen as a supervisor’s task. With knowledge about the guidelines, workers are able to change their practices at work places.
Robust artificial intelligence and robust human organizations

Every AI system is deployed by a human organization. In high risk applications, the combined human plus AI system must function as a high-reliability organization in order to avoid catastrophic errors. This short note reviews the properties of high-reliability organizations and draws implications for the development of AI technology and the safe application of that technology.
Correlated Anomaly Detection from Large Streaming Data

Correlated anomaly detection (CAD) from streaming data is a type of group anomaly detection and an essential task in useful real-time data mining applications like botnet detection, financial event detection, industrial process monitor, etc. The primary approach for this type of detection in previous researches is based on principal score (PS) of divided batches or sliding windows by computing top eigenvalues of the correlation matrix, e.g. the Lanczos algorithm. However, this paper brings up the phenomenon of principal score degeneration for large data set, and then mathematically and practically prove current PS-based methods are likely to fail for CAD on large-scale streaming data even if the number of correlated anomalies grows with the data size at a reasonable rate; in reality, anomalies tend to be the minority of the data, and this issue can be more serious. We propose a framework with two novel randomized algorithms rPS and gPS for better detection of correlated anomalies from large streaming data of various correlation strength. The experiment shows high and balanced recall and estimated accuracy of our framework for anomaly detection from a large server log data set and a U.S. stock daily price data set in comparison to direct principal score evaluation and some other recent group anomaly detection algorithms. Moreover, our techniques significantly improve the computation efficiency and scalability for principal score calculation.
An introduction to point-of-care testing in extracorporeal circulation and LVADs

There is a delicate balance between bleeding and clotting in patients on circuits such as ventricular assist devices or extracorporeal membrane oxygenation. Traditional coagulation tests, prothrombin time, activated partial thromboplastin time, and anti-factor Xa levels, are used to monitor patients on these devices. However, turnaround times and inability to assess global hemostasis, including platelets and fibrinogen have contributed to a recognition that faster, accurate, and more informative coagulation tests are needed. Activated clotting time is used to monitor heparin in patients on circuits and has the advantages of being a near-patient point-of-care test. However, its utility is limited to heparin monitoring. Viscoelastic tests (thromboelastometry and thromboelastography) are global, whole-blood coagulation tests, and whole-blood platelet aggregometry evaluates platelet function. Ideally, these tests can ensure that patients are within the therapeutic range of their antithrombotic medications, identify patients at risk for hemorrhagic or thrombotic complications, and guide management of acute bleeding complications. This ideal is currently hampered by a lack of studies that delineate clear ranges that are clinically relevant. Future research is needed to better understand the optimal use of point-of-care coagulation testing in patients on extracorporeal circuits and ventricular assist devices.
Impact of prior cancer on eligibility for lung cancer clinical trials.

6566 Background: Fewer than 3% of adult oncology patients in the U.S. enroll onto clinical studies. Stringent eligibility criteria are a key factor limiting accrual. Among these, the assumption tha...
Financial Incentives as Signals: Experimental Evidence from the Recruitment of Village Promoters in Uganda

I study the role of financial incentives as signals of job characteristics when these are unknown to potential applicants. To this end, I create experimental variation in expected earnings and use that to estimate the effect of financial incentives on candidates' perception of a brand-new health-promoter position in Uganda and on the resulting size and composition of the applicant pool. I find that more lucrative positions are perceived as entailing a lower positive externality for the community and discourage agents with strong pro-social preferences from applying. While higher financial incentives attract more applicants and increase the probability of filling a vacancy, the signal they convey reduces the ability to recruit the most socially motivated agents, who are found to stay longer on the job and to perform better.
Effects of Compressibility on Dynamic-Stall Onset Using Large-Eddy Simulation

Large-eddy simulations of the onset of dynamic stall for a NACA 0012 airfoil, pitching at a constant rate, are performed for a chord Reynolds number of 1.0×106. Using four simulations, spanning M∞=...
Delegatable Anonymous Credentials from Mercurial Signatures

In a delegatable anonymous credential system, participants may use their credentials anonymously as well as anonymously delegate them to other participants. Such systems are more usable than traditional anonymous credential systems because a popular credential issuer can delegate some of its responsibilities without compromising users’ privacy. They also provide stronger privacy guarantees than traditional anonymous credential systems because the identities of credential issuers are hidden. The identity of a credential issuer may convey information about a user’s identity even when all other information about the user is concealed.
Experience report: refactoring the mesh interface in FLASH, a multiphysics software

FLASH is a highly-configurable multiphysics software designed for solving a large class of problems that involve fluid flows and need adaptive mesh refinement (AMR). FLASH has been in existence for two decades and has undergone four major revisions. It is now undergoing its fifth major revision to deal with increasingly heterogeneous platforms. The architecture of previous versions of the code and the AMR package at its core, Paramesh, are inadequate to meet the challenges posed by heterogeneity. In this paper we describe our experience with refactoring the mesh interface of the code to work with a more modern AMR library, AMReX. The focus of the paper is the refactoring methodology and the attendant software process that we have found useful to ensure that code quality is maintained during the transition.
Does a change in dividend tax rates in the U.S. affect equity prices of non-U.S. stocks?

I investigate the link between dividend taxes and stock prices in a global setting. Based on findings from an open-economy after-tax capital asset pricing model, I predict that, when the U.S. cut its dividend tax rate in 2003, stock prices will increase for high-dividend yield foreign firms that are eligible for a U.S. income tax treaty. I examine returns for firms headquartered in treaty countries and find results consistent with this prediction. In further tests, I find that the same relation does not hold for firms in nontreaty countries. My paper is the first to provide direct evidence about whether and how dividend taxes affect equity prices across an integrated global economy.
A discussion of prior-based Bayesian information criterion (PBIC)

Professor Bayarri and coauthors' paper (hereafter, PBIC) offers a stimulating and welcomed addition to the already extensive and yet still rapid expanding literature on model selection and related ...
Gravity duals of N=(0,2) SCFTs from M5-branes

We describe the general BPS system that governs the gravity duals of $$ \mathcal{N}=\left(0,\ 2\right) $$ two-dimensional superconformal field theories in the low-energy limit of M5-branes on a four-manifold, M4. In order to preserve supersymmetry, we restrict to cases where the four-manifold is embedded in a Calabi-Yau fourfold that is a sum of two line bundles over M4. We further reduce the $$ \mathcal{N}=\left(0,\ 2\right) $$ system to describe the gravity duals of SCFTs with $$ \mathcal{N}=\left(0,4\right) $$ and $$ \mathcal{N}=\left(2,2\right) $$ supersymmetry. In the first case, the solutions fit in the larger class of AdS3 ×S2 × CY3 solutions of M-theory dual to $$ \mathcal{N}=\left(0,4\right) $$ SCFTs. In the case of the $$ \mathcal{N}=\left(2,2\right) $$ theories, the near-horizon limit of M4 is necessarily a product of two constant curvature Riemann surfaces whose metrics are governed by a pair of Liouville equations.
Deep levels in n-type Schottky and p+-n homojunction GaN diodes

The deep level spectra in both p+-n homojunction and n-type Schottky GaN diodes are studied by deep level transient spectroscopy (DLTS) in order to compare the role of the junction configuration on the defects found within the n-GaN layer. Both majority and minority carrier DLTS measurements are performed on the diodes allowing the observation of both electron and hole traps in n-GaN. An electron level at Ec−Et=0.58 and 0.62 V is observed in the p+-n and Schottky diodes, respectively, with a concentration of ∼3−4×1014 cm−3 and a capture cross section of ∼1−5×10−15 cm2. The similar Arrhenius behavior indicates that both emissions are related to the same defect. The shift in activation energy is correlated to the electric field enhanced-emission in the p+-n diode, where the junction barrier is much larger. The p+-n diode configuration allows the observation of a hole trap at Et−Ev=0.87 eV in the n-GaN which is very likely related to the yellow luminescence band.
Agricultural Safety Education: Formative Assessment of a Curriculum Integration Strategy

The purpose of this study was to assess an agricultural tractor and machinery safety curriculum for teacher training that focused on hands-on integration activities to assist with training youth in machinery safety skills. Teachers attended a single ten-hour summer training seminar hosted in Montana, South Dakota, or Utah during 2017. Teachers completed the National Tractor and Machinery Safe Operation (NSTMOP) exam to measure their existing knowledge prior to beginning the training. Upon seminar completion, teachers took an NSTMOP post-test to measure their knowledge gain of agricultural safety practices and hazard recognition associated with machinery and tractors. A total of 116 teachers completed the training. Fifty-three participants (45.7%) identified as female, and 63 (54.3%) identified as male. The average participant was 35 years old (SD = 11.3) and had 9.5 years of teaching experience (SD = 9.2). The average NSTMOP pre-test score was 35.2 out of 48 (SD = 3.3), and the average NSTMOP post-test score was 40.3 out of 48 (SD = 4.1). Participants' scores increased by ten percentage points. A paired-samples t-test was used to determine statistical significance. The difference between pre-test and post-test was significant (t(109) = 11.9, p < 0.001). Open responses indicated continuation of hands-on activities that focused on "how to teach" skills training that is relevant to the students. Teachers suggested developing new activities each year with a rotation of topics for upcoming seminars. Research is needed to determine the training's influence on the behaviors of young workers in agriculture.
Metrics for Assessing Overall Performance of Inland Waterway Ports: A Bayesian Network Based Approach

Because ports are considered to be the heart of the maritime transportation system, thereby assessing port performance is necessary for a nation’s development and economic success. This study proposes a novel metric, namely, “port performance index (PPI)”, to determine the overall performance and utilization of inland waterway ports based on six criteria, port facility, port availability, port economics, port service, port connectivity, and port environment. Unlike existing literature, which mainly ranks ports based on quantitative factors, this study utilizes a Bayesian Network (BN) model that focuses on both quantitative and qualitative factors to rank a port. The assessment of inland waterway port performance is further analyzed based on different advanced techniques such as sensitivity analysis and belief propagation. Insights drawn from the study show that all the six criteria are necessary to predict PPI. The study also showed that port service has the highest impact while port economics has the lowest impact among the six criteria on PPI for inland waterway ports.
Health Educator Perspectives on Seeking Medicaid Reimbursement in Indiana.

Health education is a growing field. However, there is confusion about the role delineation of health education specialists (HES) and other health education (HE) providers. Additionally, recent rei...
Scaffold-free Bioprinting of Mesenchymal Stem Cells with the Regenova Printer: Optimization of Printing Parameters.

Abstract The Kenzan bioprinting method provides a high-resolution biofabrication process by facilitating the fusion of submillimeter cell aggregates (spheroids) into larger tissue constructs on a needle array that is removed upon spheroid fusion. Although the method is relatively straightforward in principle, Kenzan method bioprinting relies on a complex 3D bioprinter (Regenova Bio 3D Printer, Cyfuse, K.K., Japan) implementing an advanced vision system to verify the microscopic spheroids’ geometry and high-precision mechatronics to aseptically manipulate the spheroids into position. Due to the complexity of the operation, the need for aseptic conditions, and the size of the spheroids, proficiency with the Regenova Bio 3D Printer and the Kenzan method requires development of best practices and troubleshooting techniques to ensure a robust print and minimize the use of resources. In addition, managing the construct post-bioprinting both in culture and for surgical implantation requires careful consideration and workflow design. Here, we describe methods for generating a competent tissue construct and optimizing the bioprinting process. Optimization resulted in a 4-fold reduction in print times, a 20-fold reduction in the use of bioprinting nozzles, and more robust constructs. The results and procedures described herein will have potential applications for tissue engineering, research, and clinical uses in the future.
Strategies to Reduce Recurrent Shocks Due to Ventricular Arrhythmias in Patients with an Implanted Cardioverter-Defibrillator

Ventricular arrhythmias are a therapeutic challenge, owing to their relatively unpredictable and deadly nature. Many patients are treated with an implantable cardioverter-defibrillator for either primary or secondary prevention of ventricular arrhythmias, meaning those who are at high risk of versus those who have experienced ventricular arrhythmias or sudden cardiac arrest, respectively. Despite the life-saving benefit, ICD comes with the risk of recurrent shocks for both appropriate and inappropriate rhythms. Patients with recurrent shocks have a poor quality of life and increased mortality rates. In this article, we review data for optimal device settings, medical management and radiofrequency ablation strategies to minimise the frequency of ICD shock, with a focus on treatment of ventricular arrhythmias, to reduce patient morbidity and mortality, and to maximise wellbeing and quality of life.
Testing Measurement Invariance with Ordinal Missing Data: A Comparison of Estimators and Missing Data Techniques

Ordinal missing data are common in measurement equivalence/invariance (ME/I) testing studies. However, there is a lack of guidance on the appropriate method to deal with ordinal missing data in ME/I testing. Five methods may be used to deal with ordinal missing data in ME/I testing, including the continuous full information maximum likelihood estimation method (FIML), continuous robust FIML (rFIML), FIML with probit links (pFIML), FIML with logit links (lFIML), and mean and variance adjusted weight least squared estimation method combined with pairwise deletion (WLSMV_PD). The current study evaluates the relative performance of these methods in producing valid chi-square difference tests ([Formula: see text]) and accurate parameter estimates. The result suggests that all methods except for WLSMV_PD can reasonably control the type I error rates of [Formula: see text] tests and maintain sufficient power to detect noninvariance in most conditions. Only pFIML and lFIML yield accurate factor loading estimates and standard errors across all the conditions. Recommendations are provided to researchers based on the results.
Cooperative traffic signal and perimeter control in semi-connected urban-street networks

Abstract This paper presents an integrated formulation and a distributed solution technique for cooperative signal control and perimeter traffic metering in urban street networks with various market penetration rates of connected vehicles. The problem is formulated as a mixed integer nonlinear program thus, does not scale well with the size of the network in a centralized optimization framework due to the presence of many mixed integer decision variables and nonlinear constraints. To address this limitation, we will develop a distributed model predictive control that distributes the network-level cooperative problem into several intersection-level sub-problems and coordinates their decisions. Our numerical analyses show that the proposed distributed methodology finds solutions to the problem in real-time with the optimality gap of at most 3.6% in our case studies. We have implemented the distributed methodology in Vissim and observed that cooperative signal timing and perimeter control yielded significant improvements in traffic operations. Our case study results show that the cooperative approach increases the number of completed trips by 6.0–12.8% and 10.9–11.0% and reduces the total travel times by 8.1–9.0% and 23.6–24.2% compared to independent signal control and independent perimeter control, respectively.
Coupling of ATPase activity, microtubule binding, and mechanics in the dynein motor domain.

The movement of a molecular motor protein along a cytoskeletal track requires communication between enzymatic, polymer-binding, and mechanical elements. Such communication is particularly complex and not well understood in the dynein motor, an ATPase that is comprised of a ring of six AAA domains, a large mechanical element (linker) spanning over the ring, and a microtubule-binding domain (MTBD) that is separated from the AAA ring by a ~ 135 A coiled-coil stalk. We identified mutations in the stalk that disrupt directional motion, have microtubule-independent hyperactive ATPase activity, and nucleotide-independent low affinity for microtubules. Cryo-electron microscopy structures of a mutant that uncouples ATPase activity from directional movement reveal that nucleotide-dependent conformational changes occur normally in one-half of the AAA ring, but are disrupted in the other half. The large-scale linker conformational change observed in the wild-type protein is also inhibited, revealing that this conformational change is not required for ATP hydrolysis. These results demonstrate an essential role of the stalk in regulating motor activity and coupling conformational changes across the two halves of the AAA ring.
Bonding in alkali and alkaline earth acetylacetonates

Abstract Infrared, ultraviolet, and nuclear magnetic resonance spectroscopies have been used to obtain quantitative data to establish the nature of bonding in alkali and alkaline earth acetylacetonates. Most of these acetylacetonates are salt-like; however the properties of lighter metal complexes reflect a covalent (“benzenoid”) character. Within a family the change from benzenoid to ionic character is quite abrupt, occurring between lithium and sodium compounds for the alkali metals, and between beryllium and calcium for the alkaline earths, with the magnesium compound being intermediate. The ionic compounds hydrolyze readily unless totally water-free environments are used. The claim of a more covalent structure for the hydrated form, as opposed to the non-hydrated form of a given acetylacetonate is not supported by the results of this study.
Conversion of O-succinimidyl carbamates to N-(O-carbamoyl)-succinmonoamides and ureas: effects of N-substituents and reaction conditions on the reaction pathway

Abstract Whereas N-monoalkyl-O-succinimidyl carbamates reacted with primary and secondary amines to produce only ureas, N,N-dialkyl-O-succinimidyl carbamates reacted with primary and secondary amines to produce N-(O-carbamoyl)-succinmonoamides. N-Alkyl-N-aryl-O-succinimidyl carbamates under the same condition led to mixture of both products. The effects of N-substituents and reaction conditions on O-succinimidyl carbamates conversion are discussed.
Chiral amino alcohols derived from (S)-6-chloronicotine as catalysts for asymmetric synthesis

Commercially available (S)-nicotine was converted in two or three synthetic steps to various chiral amino alcohols. These nicotine derivatives were evaluated as potential chiral ligands for metal-catalyzed asymmetric reactions by using the addition of diethylzinc to aldehydes as a screen. Several reactions proceeded with a high degree of enantioselectivity providing good yields of secondary alcohols of high enantiopurity.
Synthesis, Structure, Magnetic and Optical Properties of Ternary Thio-germanates: Ln4(GeS4)3 (Ln = Ce, Nd)

Single crystals of two ternary thio-germanates containing rare-earth metals, Ln4(GeS4)3 (Ln = Ce (I), Nd (II)), have been isolated from the reaction of anhydrous rare-earth trichloride (LnCl3) and ternary sodium thio-germanate (Na2GeS3) in evacuated quartz ampoules. We have determined the crystal structure of the compounds, which are isostructural to La4(GeS4)3 and crystallize in trigonal system in the space group R3c with the cell dimensions: I, a = b = 19.375(3) A, c = 8.028(2) A, Z = 6; II, a = b = 19.250(3) A, c = 7.949(2) A, Z = 6. The structure is built with the complex network of two independent tricapped trigonal prisms of CeS9, in which Ge atoms occupy tetrahedral holes of sulfur atoms. The bulk synthesis of the two compounds has also been achieved by the stoichiometric combination of the elements. The magnetic and optical properties of the compounds have been investigated. The magnetic moments of 2.32 and 3.49 μB for I and II, respectively, are in good agreement with the theoretical magnetic moments of Ce and Nd in the +3 oxidation state. The optical band gap of I is found to be located around 2.3 eV, while the optical band gap of II lies around 2.62 eV. In addition, Raman spectroscopic characterizations have also been performed for I, II, and La4(GeS4)3.
Synthesis of New Stanna- and Germaundecaboranes.

The reactive dianion nido-B10H122- has been shown to insert tin and germanium moieties to generate a new class of heteroundecaboranes of the form 7-X-7-EB10H12- (E = Ge, Sn; X = Br, I). Further reaction of the anion 7-Br-7-SnB10H12- with MeLi produces 7,7‘-(SnB10H12)22-.
Unifying Gene Duplication, Loss, and Coalescence on Phylogenetic Networks

Statistical methods were recently introduced for inferring phylogenetic networks under the multispecies network coalescent, thus accounting for both reticulation and incomplete lineage sorting. Two evolutionary processes that are ubiquitous across all three domains of life, but are not accounted for by those methods, are gene duplication and loss (GDL).
Synthesis and biological activities of substituted dihydrobenzo[h]‐pyrimido[4,5‐b]quinolines as tetracyclic 5‐deaza nonclassical folates

Novel tetracyclic compounds 1–4 have been synthesized via a regiospecific cyclocondensation reaction between substituted 6-aminopyrimidines 5–7 and chlorovinyl aldehydes 13 and 14. The linear structures of these compounds were established by 1H nmr and 13C nmr spectral data and also by synthesis of the compounds via an unambiguous route. The growth of Manca human lymphoma cells was inhibited 50% by 1 and 4 at 4.5 × 10−6 M and 1.2 × 10−6 M respectively. These compounds also inhibited human dihydrofolate reductase (DHFR)by 50% at 4.4 × 10−6 M and 1.4 × 10−6 irrespectively and L. casei DHFR at 1.9 × 10−5 M and 1.1 × 10−5 M respectively. Compound 16, a positional isomer of 1, was the most potent of the compounds studied, it inhibited the growth of Manca human lymphoma cells by 50% at 9 × 10−8 M. The IC50 values of 16 for the inhibition of human DHFR and L. casei DHFR were 8 × 10−8 M and 1.9 × 10−5 M respectively.
Reaction of Isopropyl Peroxy Radicals with NO over the Temperature Range 201−401 K

The rate constant for the gas-phase reaction of isopropyl peroxy radicals with NO has been measured over the temperature range of 201−401 K using chemical ionization mass spectrometric detection of the peroxy radical. The temperature dependent expression for the rate constant was found to be k(T) = (2.7 ± 0.5) × 10-12 exp{(360 ± 60)/T} cm3 molecule-1 s-1 which gives a rate constant of k = (9.0 ± 1.5) × 10-12 cm3 molecule-1 s-1 at 298 K. This value is a factor 1.8−2.6 higher than previous measurements.
Latent developmental and evolutionary shapes embedded within the grapevine leaf.

Across plants, leaves exhibit profound diversity in shape. As a single leaf expands, its shape is in constant flux. Plants may also produce leaves with different shapes at successive nodes. In addition, leaf shape varies among individuals, populations and species as a result of evolutionary processes and environmental influences. Because leaf shape can vary in many different ways, theoretically, the effects of distinct developmental and evolutionary processes are separable, even within the shape of a single leaf. Here, we measured the shapes of > 3200 leaves representing > 270 vines from wild relatives of domesticated grape (Vitis spp.) to determine whether leaf shapes attributable to genetics and development are separable from each other. We isolated latent shapes (multivariate signatures that vary independently from each other) embedded within the overall shape of leaves. These latent shapes can predict developmental stages independent from species identity and vice versa. Shapes predictive of development were then used to stage leaves from 1200 varieties of domesticated grape (Vitis vinifera), revealing that changes in timing underlie leaf shape diversity. Our results indicate that distinct latent shapes combine to produce a composite morphology in leaves, and that developmental and evolutionary contributions to shape vary independently from each other.
Concurrent Non-Malleable Zero Knowledge.

We provide the first construction of a concurrent and non-malleable zero knowledge argument for every language in NP. We stress that our construction is in the plain model with no common random string, trusted parties, or super-polynomial simulation. That is, we construct a zero knowledge protocol such that for every polynomial-time adversary that can adaptively and concurrently schedule polynomially many executions of , and corrupt some of the verifiers and some of the provers in these sessions, there is a polynomial-time simulator that can simulate a transcript of the entire execution, along with the witnesses for all statements proven by a corrupt prover to an honest verifier. Our security model is the traditional model for concurrent zero knowledge, where the statements to be proven by the honest provers are fixed in advance and do not depend on the previous history (but can be correlated with each other); corrupted provers, of course, can chose the statements adaptively. We also prove that there exists some functionality F (a combination of zero knowledge and oblivious transfer) such that it is impossible to obtain a concurrent non-malleable protocol for F in this model. Previous impossibility results for composable protocols ruled out existence of protocols for a wider class of functionalities (including zero knowledge!) but only if these protocols were required to remain secure when executed concurrently with arbitrarily chosen different protocols (Lindell, FOCS 2003) or if these protocols were required to remain secure when the honest parties’ inputs in each execution are chosen adaptively based on the results of previous executions (Lindell, TCC 2004). We obtain an ˜ O(n)-round protocol under the assumption that one-to-one one-way functions exist. This can be improved to ˜ O(klogn) rounds under the assumption that there exist k-round statistically hiding commitment schemes. Our protocol is a black-box zero knowledge protocol.
Total Syntheses of (+)-Cylindricines C−E and (−)-Lepadiformine through a Common Intermediate Derived from an aza-Prins Cyclization and Wharton's Rearrangement

Enantioselective total syntheses of (+)-cylindricines C−E and (−)-lepadiformine through a common tricyclic intermediate are described here. These syntheses are concise and feature an aza-Prins cyclization and a seldom-used Wharton rearrangement en route to the common intermediate.
Selective sulfonylation of 1,2-diols and derivatives catalyzed by a recoverable fluorous tin oxide

Abstract Fluorous tin oxide (C6F13CH2CH2)2SnO is readily synthesized, exhibits spectra that are generally similar to dibutyltin oxide and appears to exist as an oligomer or polymer. The fluorous tin oxide can be used catalytically to effect the selective monotosylation of 1,2-diols with TsCl/Et3N, and it can be readily recovered and reused.
Process Research and Development for Heterocyclic p38 MAP Kinase Inhibitors

The need to access different heterocyclic cores as part of p38 MAP kinase inhibitors led to the discovery and development of several efficient approaches to three separate classes of heterocycles, namely phthalazines, pyrazolopyridinones, and triazolopyridines. This account summarizes our studies in this field in a comprehensive fashion. 1 Introduction 2 Synthesis of Phthalazine-Based p38 Inhibitors 2.1 Synthesis of Clinical Candidate 2 2.2 Synthesis of Clinical Candidate 3 3 Synthesis of Pyrazolopyridinone-Based p38 Inhibitors 4 Synthesis of Triazolopyridine-Based p38 Inhibitors 4.1 Synthesis through Pd-Catalyzed Benzhydrazide Couplings 4.2 Synthesis through Pd-Catalyzed Benzhydrazone Couplings 5.0 Conclusions
Structures, Properties and Potential Applications of Ormosils

Ormosils are organic-inorganic hybrid solids in which the organic component may be chemically bonded to a silica matrix. Somewhat similar to inorganic silicate glasses, the structure of the silica network can be modified by the presence of organic groups. The resulting properties of the Ormosils are then governed by the type and concentration of organics used. Examples are presented in which the mechanical, electrical and optical properties of selected Ormosils can be influenced by organic groups. For instance, small amounts of polydimethylsiloxane (PDMS) added to a solution of TEOS will give an Ormosil about ten times harder than the hardest organic polymer. Larger amounts of PDMS (20%) will now yield an Ormosil which is as rubbery as organic rubber. Ormosils in which the organic and inorganic constituents are covalently bound to each other are the focus of this critical review. The potential applications of such Ormosils are discussed.
New β-Lactamase Inhibitors Nacubactam and Zidebactam Improve the In Vitro Activity of β-Lactam Antibiotics Against Mycobacterium abscessus Complex Clinical Isolates

The new diazabicyclooctane-based β-lactamase inhibitors avibactam and relebactam improve the in vitro activity of β-lactam antibiotics against bacteria of the Mycobacterium abscessus complex (MABC). Here, we evaluated the in vitro activities of two newer diazabicyclooctane-based β-lactamase inhibitors in clinical development, nacubactam and zidebactam, with β-lactams against clinical isolates of MABC. Both inhibitors lowered the MICs of their partner β-lactams, meropenem (8-fold) and cefepime (2-fold), respectively, and those of other β-lactams, similar to prior results with avibactam and relebactam.
Prokaryotic SPHINX 1.8 REP protein is tissue‐specific and expressed in human germline cells

Small circular DNAs of 1.8 and 2.4 kb were initially discovered in highly infectious Creutzfeldt-Jakob Disease (CJD) and scrapie particles from mammalian brain and cultured cells. Surprisingly, these protected cytoplasmic "SPHINX" DNAs contained replication (REP) initiation sequences resembling those of Acinetobacter phage viruses. An antibody was generated against a REP peptide encoded by the SPHINX 1.8 open reading frame (ORF) that was not present in mammals. It bound to a 41kd "spx1" protein on Western blots. Cytologically, spx1 concentrated in spinal cord synapses and pancreatic islet, but not exocrine cells. We hypothesized that circular SPHINX DNAs are ancient symbiotic elements that can participate in functional differentiation and neurodegeneration. Cell and tissue-specific patterns of spx1 expression shown below implicate somatic cell-to-cell communication and differentiation functions that would favor conservation of SPHINX 1.8 in evolution. Remarkably, primary human oocytes and spermatogonia, but not mature sperm, displayed intense cytoplasmic spx1 signals that underscore the maternal inheritance of SPHINX 1.8. These findings should encourage investigations of unexplored networks of incorporated environmental infectious agents that can be key actors in progressive neurodegeneration, immunity, and cancer.
Different Neuronal Activity Patterns Induce Different Gene Expression Programs

A vast number of different neuronal activity patterns could each induce a different set of activity-regulated genes. Mapping this coupling between activity pattern and gene induction would allow inference of a neuron's activity-pattern history from its gene expression and improve our understanding of activity-pattern-dependent synaptic plasticity. In genome-scale experiments comparing brief and sustained activity patterns, we reveal that activity-duration history can be inferred from gene expression profiles. Brief activity selectively induces a small subset of the activity-regulated gene program that corresponds to the first of three temporal waves of genes induced by sustained activity. Induction of these first-wave genes is mechanistically distinct from that of the later waves because it requires MAPK/ERK signaling but does not require de novo translation. Thus, the same mechanisms that establish the multi-wave temporal structure of gene induction also enable different gene sets to be induced by different activity durations.
Comparative assessment of strategies to identify similar ligand-binding pockets in proteins

Detecting similar ligand-binding sites in globally unrelated proteins has a wide range of applications in modern drug discovery, including drug repurposing, the prediction of side effects, and drug-target interactions. Although a number of techniques to compare binding pockets have been developed, this problem still poses significant challenges. We evaluate the performance of three algorithms to calculate similarities between ligand-binding sites, APoc, SiteEngine, and G-LoSA. Our assessment considers not only the capabilities to identify similar pockets and to construct accurate local alignments, but also the dependence of these alignments on the sequence order. We point out certain drawbacks of previously compiled datasets, such as the inclusion of structurally similar proteins, leading to an overestimated performance. To address these issues, a rigorous procedure to prepare unbiased, high-quality benchmarking sets is proposed. Further, we conduct a comparative assessment of techniques directly aligning binding pockets to indirect strategies employing structure-based virtual screening with AutoDock Vina and rDock. Thorough benchmarks reveal that G-LoSA offers a fairly robust overall performance, whereas the accuracy of APoc and SiteEngine is satisfactory only against easy datasets. Moreover, combining various algorithms into a meta-predictor improves the performance of existing methods to detect similar binding sites in unrelated proteins by 5–10%. All data reported in this paper are freely available at https://osf.io/6ngbs/ .
Programmed cell death can increase the efficacy of microbial bet -hedging.

Programmed cell death (PCD) occurs in both unicellular and multicellular organisms. While PCD plays a key role in the development and maintenance of multicellular organisms, explaining why single-c ...
Palladium(II)-Catalyzed Intramolecular Aminobromination and Aminochlorination of Olefins

The first intramolecular aminobromination and aminochlorination of olefins catalyzed by palladium(II) is reported. These reactions use a stoichiometric amount of copper(II) halide salt to aid in halogen transfer and catalyst oxidation. The yields are generally high and the degree of regioselectivity (endo vs exo cyclization) varies with substrate structure. Control experiments were performed to determine the requirements for a catalytic reaction. Solvent, temperature, and the nature of the copper halide salt all effect the course of the reaction.
Asymmetric Synthesis of Activated α-Amino Esters via Chromium Carbene Complex Photochemistry

Optically active chromium aminocarbene complexes were α-alkylated and then photolyzed in the presence of 2,4,5-trichlorophenol to produce a number of optically active activated α-amino esters. These underwent coupling with amino acid esters or a soluble PEG-supported dipeptide to introduce the chromium−carbene-complex-derived amino acid residue into the peptide.
A general procedure for a one-pot oxidative cleavage/Wittig reaction of glycols

Abstract Oxidative cleavage of a series of glycols using NaIO4 on silica gel in the presence of a series of stabilized ylides provides access to a number of synthetically useful alkenes. The ease and general utility of this reaction is demonstrated here using several carbohydrates and amino acid derived glycols.
In vivo blunt-end cloning through CRISPR/Cas9-facilitated non-homologous end-joining

The CRISPR/Cas9 system facilitates precise DNA modifications by generating RNA-guided blunt-ended double-strand breaks. We demonstrate that guide RNA pairs generate deletions that are repaired with a high level of precision by non-homologous end-joining in mammalian cells. We present a method called knock-in blunt ligation for exploiting these breaks to insert exogenous PCR-generated sequences in a homology-independent manner without loss of additional nucleotides. This method is useful for making precise additions to the genome such as insertions of marker gene cassettes or functional elements, without the need for homology arms. We successfully utilized this method in human and mouse cells to insert fluorescent protein cassettes into various loci, with efficiencies up to 36% in HEK293 cells without selection. We also created versions of Cas9 fused to the FKBP12-L106P destabilization domain in an effort to improve Cas9 performance. Our in vivo blunt-end cloning method and destabilization-domain-fused Cas9 variant increase the repertoire of precision genome engineering approaches.
Combined spectroscopic/computational studies on Fe- and Mn-dependent superoxide dismutases: insights into second-sphere tuning of active site properties.

Superoxide dismutases (SODs) are metalloenzymes that protect aerobic organisms from oxidative damage mediated by the superoxide radical. While the Fe- and Mn-dependent SODs from E. coli possess virtually identical protein folds and active-site geometries, they are strictly metal specific. To explore the origin of this extraordinary metal-ion specificity and to elucidate the mechanisms by which these enzymes tune the geometric and electronic properties, and thus the reactivity, of their active-site metal ions, we utilized a combination of spectroscopic and computational methods to study the native enzymes, their metal-substituted derivatives, and several mutant proteins. Results from our research described in this Account reveal that second-sphere residues are critically involved in controlling both thermodynamic and kinetic properties of the Fe− and MnSOD active sites.
Syntheses and crystal structures of three barium uranium sulfides

The barium uranium sulfides Ba 3.69 US 6 , BaUS 3 , and BaU 2 S 5 have been synthesized at 1273, 1323, and 1323 K, respectively. The structures of these compounds have been determined by single-crystal X-ray diffraction methods. They crystallize in space groups D 3 d 6 − R 3 ¯ c , D 2 h 16 − P n m a , and C 2 h 5 − P 2 1 / c , respectively. Among these three ternaries and Ba 2 US 6 the coordination geometries about the U atoms vary considerably. Ba 3.69 US 6 is a mixed U 4+ /U 5+ compound whereas the others are U 4+ compounds. The decreasing dimensionality of the four compounds with increasing Ba–to–U content shows the expected trend.
SYNTHESIS OF 2,3-DINOR-5,6-DIHYDRO-15F2T-ISOPROSTANE

A concise synthesis of the 15-F2t-isoprostane urinary metabolite 2, a potential marker for systemic oxidative stress, is described. This synthesis confirmed the structure of this important product of human metabolism. The key transformation is the rhodium-mediated diastereoselective cyclization of diazo ketone 4, followed by cyclopropane ring opening with thiophenol and Lewis acid. Material prepared by the synthesis outlined here will be used to develop an antibody-based assay for clinically quantifying systemic oxidative stress.
A new molecular iodine-catalyzed thioketalization of carbonyl compounds: selectivity and scope

Abstract A new molecular iodine-catalyzed thioketalization of carbonyl compounds has been developed.
The Relation Between White Matter Microstructure and Network Complexity: Implications for Processing Efficiency.

Brain structure has been proposed to facilitate as well as constrain functional interactions within brain networks. Simulation models suggest that integrity of white matter (WM) microstructure should be positively related to the complexity of BOLD signal—a measure of network interactions. Using 121 young adults from the Human Connectome Project, we empirically tested whether greater WM integrity would be associated with greater complexity of the BOLD signal during rest via multiscale entropy. Multiscale entropy measures the lack of predictability within a given time series across varying time scales, thus being able to estimate fluctuating signal dynamics within brain networks. Using multivariate analysis techniques (Partial Least Squares), we found that greater WM integrity was associated with greater network complexity at fast time scales, but less network complexity at slower time scales. These findings implicate two separate pathways through which WM integrity affects brain function in the prefrontal cortex—an executive-prefrontal pathway and a perceptuo-occipital pathway. In two additional samples, the main patterns of WM and network complexity were replicated. These findings support simulation models of WM integrity and network complexity and provide new insights into brain structure-function relationships.
A simple method for the formation of cyclopropylamines: the first synthesis of tricyclopropylamine

Abstract A mild, one-step method to cyclopropylate amines is described. Treatment of a variety of secondary and primary amines with [(1-ethoxycyclopropyl)oxy]trimethylsilane and sodium cyanoborohydride in methanol gave mono- and dicyclopropylamines in good yield. Sterically hindered di- and tricyclopropylamines, including the previously unreported tricyclopropylamine, were prepared using this method. The pKas of some mono-, di- and tricyclopropylamines were measured showing a reduction of ∼1–2 pKa unit per added cyclopropyl group.
Palladium catalyzed coupling of 2,6-Dichloro-3-iodoimidazo[1,2-a]pyridine and 2,3-dihydrofuran as an approach to novel imidazo[1,2-a]pyridine C-nucleosides

Abstract Palladium was used for a cross coupling of 2,6-dichloro-3-iodoimidazo[1,2-a]pyridine (2) to 2,3-dihydrofuran (3). Optimization of the coupling conditions have given exclusively (+/−)-2,6-dichloro-3-(2′,5′-dihydrofuran-2′-yl)imidazo[1,2-a]pyridine (4) in high yield. Compound 4 was dihydroxylated using a catalytic amount of osmium tetroxide to give the erythrofuranosyl C-nucleoside derivatives 6 and 7. This is the first report of a C-nucleoside derivative containing a sugar moiety attached to the C3 position of an imidazo[1,2-a]pyridine heterocycle.
Polymorphism and luminescent behavior of linear, two-coordinate gold(i) complexes

For those interested in the luminescence of gold(I) complexes, the formation of crystalline polymorphs with different aurophilic interactions between molecules or ions offers a new field where individual crystals of the same substance show differences in their luminescence and in their structures.