cssi/SciSciGPT-SciSciNet huggingface dataset:
The Right of Publicity’s Intellectual Property Turn

I will first consider the case often wrongly credited with creating the right of publicity―Haelan Laboratories v. Topps Chewing Gum―and then reveal the right of publicity’s true origins, explaining when the actual turn to becoming an independent IP right took place. I will conclude with some challenges posed by this IP turn, as well as some implications that flow from this resurrected story of the right of publicity’s development. Almost twenty-five years ago, in 1995, Columbia Law School organized another Symposium on the right of publicity.9 Many of the concerns raised then and the disagreements voiced at that time remain today. But none of the speakers at the time accurately understood the history of the right of publicity’s development. As a result, the conversation stood on a shaky foundation—one that has long skewed our understanding of the right of publicity, its objectives, and the controversies that surround it. Let us begin today’s Symposium by setting the record straight.
Chemical modification of ring c of himbacine: Discovery of a pharmacophoric element for M2-selectivity

Abstract Removal of the carbonyl oxygen of himbacine furnishes a molecule which binds with 20-fold and 4-fold lower affinity at the M2 and M1 receptor sites, respectively. Thus, the carbonyl oxygen constitutes an important pharmacophoric element responsible for some of the M2 selectivity of himbacine. Other modifications of the C-ring of the tricyclic portion of himbacine were examined and tested for potency at M1 and M2 sites, and the data confirm that M2 selectivity is optimal with a closed heterocyclic ring and with the presence of a proximal carbonyl oxygen.
4,5-Dimethylimidazole : a correction and alternative synthesis

Fractional vacuum distillation of the product obtained from thermal condensation of acetoin with formamide is a formic acid complex of 4,5-dimethylimidazole, and not the expected free base. The 1 H and 13 C nmr spectra suggest that the product may be closer to a 1:1 hydrogen-bonded adduct than to a true salt. Commercial 4-hydroxymethyl-5-methylimidazole is converted quantitatively to the 4-chloromethyl derivative with thionyl chloride; hydrogenolysis of the latter compound provides 4,5-dimethylimidazole in an overall 80-90% yield, doubling the yield obtained by the classical method
Broom: application for non-redundant storage of high throughput sequencing data.

Motivation The data generation capabilities of high throughput sequencing (HTS) instruments have exponentially increased over the last few years, while the cost of sequencing has dramatically decreased allowing this technology to become widely used in biomedical studies. For small labs and individual researchers, however, storage and transfer of large amounts of HTS data present a significant challenge. The recent trends in increased sequencing quality and genome coverage can be used to reconsider HTS data storage strategies. Results We present Broom, a stand-alone application designed to select and store only high-quality sequencing reads at extremely high compression rates. Written in C++, the application accepts single and paired-end reads in FASTQ and FASTA formats and decompresses data in FASTA format. Availability and implementation C++ code available at https://scsb.utmb.edu/labgroups/fofanov/broom.asp. Supplementary information Supplementary data are available at Bioinformatics online.
A flexible approach toward trisubstituted piperidines and indolizidines: synthesis of 6-epi-indolizidine 223A.

2,5,6-Trisubstituted piperidines are readily prepared by a combination of an aza-Achmatowicz oxidation of a furyl-substituted benzenesulfonamide followed by a conjugate addition to the resulting 2H-pyridone and subsequent addition of various nucleophiles to a transient N-sulfonyliminium ion. The stereochemistry of the conjugate addition product is the result of axial attack from the face opposite the diaxial substituents at C2 and C6. This can be attributed to steric hindrance between the pseudoaxially oriented 2,6-substituents and the equatorially approaching nucleophile, thereby leading to the exclusive formation of the kinetically favored axial 1,4-adduct. Indolizidine alkaloid 223A was isolated from a skin extract of a Panamanian population of the dendrobatid Dendrobates pumilio Schmidt (Dendrobatidae). Synthesis of the originally proposed structure of this alkaloid was achieved in 13 steps in 13.1% overall yield by using an aza-Achmatowicz oxidative rearrangement and a diastereoselective 1,4-conjugat...
Alkynylation of halo pyrimidines under Pd/C–copper catalysis: regioselective synthesis of 4- and 5-alkynylpyrimidines

Abstract 5-Bromo-4-chloro-6-methylpyrimidines underwent facile Pd/C–Cu catalyzed coupling reactions with a variety of terminal alkynes, which resulted in the corresponding 4-alkynyl-5-bromopyrimidines, regioselectively, with good yields. 4-Chloro-5-iodo-6-methylpyrimidine, however, yielded the corresponding 5-alkynyl-4-chloropyrimidines under the same reaction conditions.
A highly efficient iterative approach to fused ether ring systems

Abstract An iterative synthesis of fused ether ring systems has been developed. This strategy couples a cyclic enol ether oxidation and carbon-carbon bond forming reaction in one flask with an acid catalyzed cyclic acetal formation and alkoxide elimination in another flask. The result is a general and highly efficient two flask synthesis of fused ethers as are present in a wide variety of bioactive natural products.
Cross silyl benzoin additions catalyzed by lanthanum tricyanide.

From a screen of (cyanide)metal complexes, an improved catalyst for the cross silyl benzoin addition was discovered. Several M(CN)3 complexes (M = Ce, Er, Sm, Y, Yb, La) were evaluated and lanthanu...
Synthesis of a novel diazepine

A novel pyrrolopyridodiazepine ring system was synthesized from methyl 2-methyl nicotinate.
Diastereoselective synthesis of α,α,α′-trisubstituted pyrrolidines and piperidines by directed sequential lithiation/alkylation

The stereocontrolled synthesis of α,α,α′-trisubstituted pyrrolidines and piperidines has been accomplished through α′-lithiation/trapping of the corresponding α,α-disubstituted Boc-protected azaheterocycle with various electrophiles. The relative configuration of the major diastereomer has the α′-substituent trans to the α-aryl group in the pyrrolidines but cis to the α-aryl group in the piperidines. The diastereoselectivity of the lithiation/alkylation of pyrrolidines is unaffected by TMEDA but decreases in the presence of (−)-sparteine in diethyl ether.
VarMatch: robust matching of small variant datasets using flexible scoring schemes.

Motivation: Small variant calling is an important component of many analyses, and, in many instances, it is important to determine the set of variants which appear in multiple callsets. Variant matching is complicated by variants that have multiple equivalent representations. Normalization and decomposition algorithms have been proposed, but are not robust to different representation of complex variants. Variant matching is also usually done to maximize the number of matches, as opposed to other optimization criteria. Results: We present the VarMatch algorithm for the variant matching problem. Our algorithm is based on a theoretical result which allows us to partition the input into smaller subproblems without sacrificing accuracy. VarMatch is robust to different representation of complex variants and is particularly effective in low complexity regions or those dense in variants. VarMatch is able to detect more matches than either the normalization or decomposition algorithms on tested datasets. It also implements different optimization criteria, such as edit distance, that can improve robustness to different variant representations. Finally, the VarMatch software provides summary statistics, annotations and visualizations that are useful for understanding callers’ performance. Availability and Implementation: VarMatch is freely available at: https://github.com/medvedevgroup/varmatch Contact: chensun@cse.psu.edu or pashadag@cse.psu.edu Supplementary information: Supplementary data are available at Bioinformatics online.
Electronic and geometric structures of +ScSe and +ScSeH

The [sup +]ScSe and [sup +]ScSeh molecules were investigated by determining the multiconfiguration self-consistent field (MCSCF) and configuration interaction (MCSCF + 1 + 2) wave functions for the [sup 1][Sigma][sup +], [sup 3][Delta] and [sup 3][Sigma][sup +] states of [sup +]ScSe and the [sup 2][Delta] and [sup 2][Sigma][sup +] states of [sup +]ScSe and the [sup 2][Delta] [sup 2][Sigma][sup +] states of [sup +]ScSeH. Ground-state [sup +]ScSe is a triply bonded species of [sup 1][Sigma][sup +] symmetry with a bond strength of 84 kcal/mol. The [sup 3][Delta] and [sup 3][Sigma][sup +] excited states lie higher in energy in with bond strengths of 31 and 28 kcal/mol, respectively. The [sup +]ScSeH molecule has a [sup 2][Delta] ground state nearly degenerate with the excited [sup 2][Sigma][sup +] state with both being differentially stabilized by the formation of a Se-H bond. This stabilization is consistent with prior work on [sup +]ScOH and [sup +]ScSH. 19 refs., 7 figs., 7 tabs.
Probing Glycans With the Copper(I)‐Catalyzed [3+2] Azide–Alkyne Cycloaddition

The imposing structural complexity and heterogeneity of glycans has made the study of their precise biological roles challenging. However, recently developed synthetic and screening techniques have enabled the study of many aspects of glycan activity that were previously inaccessible. Among these new methods, the Copper(I)-catalyzed Azide–Alkyne [3+2] Cycloaddition (CuAAC) has provided a means to mimic multivalent glycan display, manipulate cellular glycans in vivo for visualization and isolation, and generate useful inhibitors of glycoprotein processing.
Enzymatic enantioselective reduction of α-ketoesters by a thermostable 7α-hydroxysteroid dehydrogenase from Bacteroides fragilis

Abstract A thermostable 7α-hydroxysteroid dehydrogenase (7-HSDH) from Bacteroides fragilis ATCC 25285 was cloned and over-expressed in E. coli, and its substrate specificity and stereoselectivity toward reduction of various ketones were examined. This alcohol dehydrogenase was active toward a series of aromatic and bulky aliphatic α-ketoesters. The substituents at the phenyl ring of aromatic α-ketoesters greatly affected the activity, but their effects on enantioselectivity were minimal. The synthetic application of this enzyme was then demonstrated through the preparation of a few α-hydroxy carboxylic acid esters of pharmaceutical interest.
Catalytic Asymmetric oxa-Michael−Michael Cascade for Facile Construction of Chiral Chromans via an Aminal Intermediate

An unprecedented highly enantioselective cascade oxa-Michael−Michael reaction has been developed. The simple and practical process, efficiently catalyzed by chiral diphenylprolinol TMS ether, affor...
Citizen Science for Mining the Biomedical Literature

Biomedical literature represents one of the largest and fastest growing collections of unstructured biomedical knowledge. Finding critical information buried in the literature can be challenging. To extract information from free-flowing text, researchers need to: 1. identify the entities in the text (named entity recognition), 2. apply a standardized vocabulary to these entities (normalization), and 3. identify how entities in the text are related to one another (relationship extraction). Researchers have primarily approached these information extraction tasks through manual expert curation and computational methods. We have previously demonstrated that named entity recognition (NER) tasks can be crowdsourced to a group of non-experts via the paid microtask platform, Amazon Mechanical Turk (AMT), and can dramatically reduce the cost and increase the throughput of biocuration efforts. However, given the size of the biomedical literature, even information extraction via paid microtask platforms is not scalable. With our web-based application Mark2Cure (http://mark2cure.org), we demonstrate that NER tasks also can be performed by volunteer citizen scientists with high accuracy. We apply metrics from the Zooniverse Matrices of Citizen Science Success and provide the results here to serve as a basis of comparison for other citizen science projects. Further, we discuss design considerations, issues, and the application of analytics for successfully moving a crowdsourcing workflow from a paid microtask platform to a citizen science platform. To our knowledge, this study is the first application of citizen science to a natural language processing task.
The metathesis reaction for side chain construction in carbocyclic sinefungin analogue synthesis

Abstract The naturally occurring nucleoside sinefungin has found considerable use in biological investigations. More extensive sinefungin studies have been limited because few analogues have been reported due to the synthetic challenges associated with such studies. Reported herein are preparative ways to two carbocyclic sinefungin analogues: 6′-deaminocarbocyclic sinefungin and (S)-6′-hydroxy-6′-deaminocarbocyclic sinefungin. The synthetic routes were made efficient and practical by the application of two metathesis reactions employing second generation Grubbs catalyst.
The synthesis of potentially selective inhibitors of dihydroorotate dehydrogenase. The utilization of chemoselective Suzuki cross-coupling reactions in a parallel synthesis

Abstract A series of potentially selective inhibitors of dihydroorotate dehydrogenase (DHODH) were synthesized via iterative, chemoselective Suzuki cross-couplings utilizing biaryl chlorides as key intermediates.
ENANTIOSELECTIVE TOTAL SYNTHESIS OF REVEROMYCIN B

The reveromycins A (1) and B (2) belong to a new family of natural products that have been isolated from a soil actinomycete of the genus Streptomyces.1 Both compounds inhibit eukaryotic cell growth presumably by interfering with an element associated with the epidermal growth factor receptor pathway.2,3 The molecular structures of 1 and 2 are characterized by a [6,6] or [5,6] spiroketal core respectively, decorated with two highly unsaturated side-chains ending in carboxylic acid units. The relative and absolute configuration of 1 was determined by chemical degradation and spectroscopic analysis, while the structure of 2 was proposed by analogy to 1.4 Herein, we would like to disclose a route to the chemical synthesis of 2, which may also be amenable to the synthesis of other members of this family.5 This reaction sequence constitutes the first total synthesis of a member of the reveromycin family and unambiguously confirms the proposed structures for 2 and 1.
Microwave spectrum, dipole moment, and a proposed structure for 1-cyanobicyclo[1.1.0]butane

The microwave spectra of the normal and the 2-13C isotopic species of 1-cyanobicyclo[1.1.0]butane have been observed and assigned, leading to the following rotational constants: (normal), A=8807.202 ± 0.004, B=2924.334 ± 0.002, C=2509.322 ± 0.002 and (isotope), A=8608.85 ± 0.85, B=2902.88 ± 0.02, and C=2478.56 ± 0.02 MHz. Measurements of the second-order Stark effect led toμT=4.08 ± 0.01 D. Based on the available microwave data coupled with geometryoptimizedab initio molecular orbital structures for cyanocyclopropane and 1-cyanobicyclo[1.1.0]-butane, a molecular structure for the latter molecule is proposed. Analysis of the dipole moments of these molecules and of bicyclo[1.1.0]butane has led to the conclusion that the bicyclobutyl group is a better electron donor than is cyclopropyl. In addition, a simple frontier molecular orbital model is not sufficient for explaining all of the structural changes that occur on substituting cyano at the bridgehead of bicyclo[1.1.0]butane.
The Nature of the Catalytic Sites for H2 Dissociation

Scanning Tunneling Microscopy (STM) can reveal the nature of active sites on the surface of heterogeneous catalysts. This is shown for the case of the dissociation of molecular hydrogen on Pd(111), which has been studied recently both experimentally and theoretically. STM can image in real time to generate movies of adsorbed atoms diffusing on the catalyst surface and forming aggregates. Of particular interest is the behavior near saturation coverage, a situation that is common when catalysts operate under the gas pressures typical of many industrial reactions. Under these conditions, active catalyst sites are formed as a result of density fluctuations that free atoms at the catalyst surface of adsorbates, so that they become available for new reactions. Little is known about the structure of the sites generated in this process. While the end state of a dissociative adsorption of a diatomic molecule requires at least two empty sites to accommodate the reaction products, the initial state where the molecule adsorbs and dissociates, might be more complicated and its nature is unknown. The review shows how STM can provide an improved understanding of the nature of these initial sites.
Cis- and trans-1,7,9-trioxadispiro[5.1.5.3]hexadecane: Synthetic studies

Abstract The first synthesis of the title compounds via thermodynamic spirocyclization of a diketodiol 2 is described. Three convergent synthetic approaches to protected derivatives of 2 have been developed, all of which have been converted into a 1.70:1.00 mixture of trans -3: cis -3. A practical consequence of these studies is the availability of the title compounds from dihydropyran and 1,5-pentanediol in 28% and 32% overall yields, respectively.
Synthesis of 1,1-linked galactosyl mannosides carrying a thiazine ring as mimetics of sialyl Lewis X antigen: investigation of the effect of carboxyl group orientation on P-selectin inhibition.

This paper describes the synthesis of 1,1-linked galactosyl mannosides as sialyl Lewis X mimetics that contain a spiro-ring to position the carboxylate group in a well-defined orientation. It was found that compound 4 is more active as a P-selectin inhibitor (IC50 = 19 μM) than the parent disaccharide 2, which contains a flexible carboxyl group (IC50 = 193 μM). This result is consistent with that observed in the previous NMR study of sialyl Lewis X bound to P-selectin. The chemistry described here should be useful for the development of selective inhibitors of E-, P-, and L-selectins.
Hippocampal pattern separation supports reinforcement learning.

Animals rely on learned associations to make decisions. Associations can be based on relationships between object features (e.g., the three leaflets of poison ivy leaves) and outcomes (e.g., rash). More often, outcomes are linked to multidimensional states (e.g., poison ivy is green in summer but red in spring). Feature-based reinforcement learning fails when the values of individual features depend on the other features present. One solution is to assign value to multi-featural conjunctive representations. Here, we test if the hippocampus forms separable conjunctive representations that enables the learning of response contingencies for stimuli of the form: AB+, B−, AC−, C+. Pattern analyses on functional MRI data show the hippocampus forms conjunctive representations that are dissociable from feature components and that these representations, along with those of cortex, influence striatal prediction errors. Our results establish a novel role for hippocampal pattern separation and conjunctive representation in reinforcement learning. When learning about rewards and threats in the environment, animals often need to learn the value associated with conjunctions of features, not just individual features. Here, the authors show that the hippocampus forms conjunctive representations that are dissociable from individual feature components.
BaHg2Tl2. An unusual polar intermetallic phase with strong differentiation between the neighboring elements mercury and thallium.

High yields of the novel BaHg2Tl2 are achieved from reactions of the appropriate cast alloys at ∼400 °C. (Isotypic SrHg2Tl2 also exists.) The tetragonal barium structure (P42/mnm, a = 10.606 A, c = 5.159 A) was refined from both single-crystal X-ray and neutron powder diffraction data in order to ensure the atom site assignments although distances and calculated atom site population also support the results. The Hg and Tl network atoms are distinctive in their functions and bonding. Parallel chains of Hg hexagons and of Tl tetrahedra along c are constructed from polyhedra that share opposed like edges, and these are in turn interconnected by Hg−Tl bonds. Overall, the number of Tl−Tl bonds per cell exceeds the Hg−Hg type by 20:12, but these are ∼1:2 each in bonding according to their average -ICOHP values (related to overlap populations). Barium is bound within a close 15-atom polyhedron, 12 atoms of which are the more electronegative Hg. LMTO-ASA calculations show that scalar relativistic effects are part...
A concise synthesis of the cytotoxic depsipeptide arenastatin A

Arenastatin A (1, cryptophycin 24) was synthesized by convergence of hydroxy ester16 with amino acid derivative27; two independent and highly efficient routes to16 are disclosed.
Exploration of the microstructure space in TiAlZrN ultra-hard nanostructured coatings

Abstract Ti1−x−yAlxZryN cubic alloys within the 25–70% Al composition range have high age-hardening capabilities due to metastable phase transition pathways at high temperatures. They are thus ideal candidates for ultra-hard nano-coating materials. There is growing evidence that this effect is associated with the elasto-chemical field-induced phase separation into compositionally-segregated nanocrystalline nitride phases. Here, we studied the microstructural evolution in this pseudo-ternary system within spinodal regions at 1200 °C by using an elasto-chemical phase field model. Our simulations indicate that elastic interactions between nitride nano-domains greatly affect not only the morphology of the microstructure but also the local chemical phase equilibria. In Al-rich regions of the composition space we further observe the onset of the transformation of AlN-rich phases into their equilibrium wurtzite crystal structure. This work points to a wide palette of microstructures potentially accessible to these nitride systems and their tailoring is likely to result in significant improvements in the performance of transition metal nitride-based coating materials.
Towards region-specific propagation of protein functions

Motivation Due to the nature of experimental annotation, most protein function prediction methods operate at the protein-level, where functions are assigned to full-length proteins based on overall similarities. However, most proteins function by interacting with other proteins or molecules, and many functional associations should be limited to specific regions rather than the entire protein length. Most domain-centric function prediction methods depend on accurate domain family assignments to infer relationships between domains and functions, with regions that are unassigned to a known domain-family left out of functional evaluation. Given the abundance of residue-level annotations currently available, we present a function prediction methodology that automatically infers function labels of specific protein regions using protein-level annotations and multiple types of region-specific features. Results We apply this method to local features obtained from InterPro, UniProtKB and amino acid sequences and show that this method improves both the accuracy and region-specificity of protein function transfer and prediction. We compare region-level predictive performance of our method against that of a whole-protein baseline method using proteins with structurally verified binding sites and also compare protein-level temporal holdout predictive performances to expand the variety and specificity of GO terms we could evaluate. Our results can also serve as a starting point to categorize GO terms into region-specific and whole-protein terms and select prediction methods for different classes of GO terms. Availability and implementation The code and features are freely available at: https://github.com/ek1203/rsfp. Supplementary information Supplementary data are available at Bioinformatics online.
Synthesis and stability of 2,4,6-trinitrobenzylamine

2,4,6-Trinitrobenzylamine was synthesized via 2,4,6-trinitrophenylacetic acid and 2,4,6-trinitrobenzyl isocyanate. The title compound decomposes at room temperature but forms a stable hydrochloride and acetyl derivative.
Convenient Syntheses of Aryl and Perfluoroaryl Trichlorogermanes and Germatranes via an Organotin Route

Aryl- and (perfluoroaryl)trichlorogermanes ArGeCl3 (Ar = C6H5, 2-FC6H4, 3,5-(CF3)2C6H3, C6F5, 2,3,5,6-F4C5N) are easily obtained in 60−80% yields from the corresponding tributylstannanes and GeCl4 (1:1) at 150 °C in the absence of a solvent. Although the tin-to-germanium transmetalation of C6F5 group is sluggish, it is facilitated by addition of 1−2 mol % AIBN (2,2‘-azobis(isobutyronitrile)).
Synthesis of 2-anilinotropones via palladium-catalyzed amination of 2-triflatotropone

A series of 2-anilinotropones were synthesized via the palladium-catalyzed cross coupling of 2-triflatotropone and a wide variety of anilines, sterically hindered as well as electron-poor ones.
PROPERTIES OF SOME CONDENSED AROMATIC SYSTEMS

The structures, energies, and other properties of a series of linearly annelated arenes, and of a corresponding series annelated in the fashion of phenanthrene, were examined at the B3LYP/6-311G** level of theory. The compounds in the latter series were uniformly found to have a lower energy than their isomers in the former series. In both series, the C−C bond lengths were found to be correlated with the charge density at the bond critical point, the ellipticity at that point, and with the π-bond order. This indicates that the π-electron distribution is the dominant factor in determining the bond lengths. The resonance energies were estimated and were found to increase linearly with the number of rings with the [n]phenacenes, but at a slower rate with the linearly annelated benzenes. The ionization potentials were calculated, and the change in electron density on ionization was examined. It was found that the radical cations formed via ionization have the positive charge mainly located at the π-orbitals t...
The Stereochemical Assignment and Conformational Analysis of the V/W-Ring Juncture of Maitotoxin

The unambiguous stereochemical assignment of the V/W-ring juncture of maitotoxin, as shown in Figure 1, was accomplished using a two-step approach: (1) the synthesis of two diastereomeric models Me-A and Me-B and (2) the comparison of the NMR spectroscopic data for each model with those of maitotoxin. Furthermore, the fact that the NMR characteristics observed for Me-A were remarkably close to those reported for maitotoxin makes a strong case for the accurate extrapolation of the conformational properties of maitotoxin from those of the model Me-A. Using 1H−1H NOESY experiments and MM3 calculations, the solution conformations of Me-A and Me-B were studied in aprotic and protic solvents. In aprotic solvents such as benzene, both Me-A and Me-B preferentially adopt the conformations Me-Aa and Me-Ba, respectively, due to intramolecular hydrogen bond stabilization. On the other hand, in a protic solvent such as a 1:1 mixture of methanol and pyridine both Me-A and Me-B exist as mixtures of all of their possibl...
New and efficient routes to norstatine and its analogs with high enantiomeric purity by β-Lactam Synthon Method

Abstract Norstatine and its analogs, i.e., 3-amino-2-hydroxyalkanoic acids, with high enantiomeric purity are obtained through effecient asymmetric synthesis of 3-silyloxy-β-lactams by chiral enolate - imine cyclocondensation, followed by hydrolysis.
Efficient nucleophilic substitution reactions of highly functionalized allyl halides in ionic liquid media

Abstract Nucleophilic substitution reactions of highly functionalized allyl halides with three anions, N 3 − , AcO − , and PhSO 2 − , in ionic liquid media were conducted. The ionic liquid, [Bmim][BF 4 ], was found to be superior to classical organic solvents to give higher yields and faster reaction rates. The resulting products belong to multifunctionalized trisubstituted α,β-unsaturated ketones, which are useful building blocks for organic synthesis.
Aspergilloxide, a novel sesterterpene epoxide from a marine-derived fungus of the genus Aspergillus.

A new sesterterpene epoxide-diol, aspergilloxide (1), was isolated from the extract of a cultured marine-derived fungus (strain CNM-713) identified as an undescribed member of the genus Aspergillus. The structure of 1 was determined by interpretation of NMR data and by chemical methods. The absolute stereochemistry of aspergilloxide was assigned by application of the modified Mosher method. The carbon skeleton of 1 represents a new addition to the architectural diversity of the sesterterpenoid (C25) class of secondary metabolites.
Clinical features and cell of origin subtyping using gene expression profiling in HIV-negative patients with primary central nervous system lymphoma

Primary central nervous system lymphoma (PCNSL) is a rare aggressive B-cell non-Hodgkin lymphoma confined to the CNS (including brain, spine, and eyes). Despite a favorable response to chemotherapy...
How and When to Use the Political Cycle to Identify Advertising Effects

This paper provides a critical analysis of how and when political advertising serves as a useful source of exogenous variation in product advertising.
A Short Path Quantum Algorithm for Exact Optimization

We give a quantum algorithm to exactly solve certain problems in combinatorial optimization, including weighted MAX-2-SAT as well as problems where the objective function is a weighted sum of products of Ising variables, all terms of the same degree $D$; this problem is called weighted MAX-E$D$-LIN2. We require that the optimal solution be unique for odd $D$ and doubly degenerate for even $D$; however, we expect that the algorithm still works without this condition and we show how to reduce to the case without this assumption at the cost of an additional overhead. While the time required is still exponential, the algorithm provably outperforms Grover's algorithm assuming a mild condition on the number of low energy states of the target Hamiltonian. The detailed analysis of the runtime dependence on a tradeoff between the number of such states and algorithm speed: fewer such states allows a greater speedup. This leads to a natural hybrid algorithm that finds either an exact or approximate solution.
FINITELY DEPENDENT COLORING

We prove that proper coloring distinguishes between block factors and finitely dependent stationary processes. A stochastic process is finitely dependent if variables at sufficiently well-separated locations are independent; it is a block factor if it can be expressed as an equivariant finite-range function of independent variables. The problem of finding non-block-factor finitely dependent processes dates back to 1965. The first published example appeared in 1993, and we provide arguably the first natural examples. Schramm proved in 2008 that no stationary 1-dependent 3-coloring of the integers exists, and asked whether a -dependent -coloring exists for any and . We give a complete answer by constructing a 1-dependent 4-coloring and a 2-dependent 3-coloring. Our construction is canonical and natural, yet very different from all previous schemes. In its pure form it yields precisely the two finitely dependent colorings mentioned above, and no others. The processes provide unexpected connections between extremal cases of the Lovasz local lemma and descent and peak sets of random permutations. Neither coloring can be expressed as a block factor, nor as a function of a finite-state Markov chain; indeed, no stationary finitely dependent coloring can be so expressed. We deduce extensions involving dimensions and shifts of finite type; in fact, any nondegenerate shift of finite type also distinguishes between block factors and finitely dependent processes.
Mathai–Quillen Formalism

We begin with the construction of Mathai-Quillen's Thom form. We also study the case with group actions, with a review of equivariant cohomology and then Mathai-Quillen's construction in this setting. Next, we show that much of the above can be formulated as a "field theory" on a superspace of one fermionic dimension. Finally, we present the interpretation of topological field theories using the Mathai-Quillen formalism.
Cobordism invariance of the index of Callias-type operators

ABSTRACTWe introduce a notion of cobordism of Callias-type operators overcomplete Riemannian manifolds and prove that the index is preserved by such a cobordism. As an application, we prove a gluing formula for Callias-type index. In particular, a usual index of an elliptic operator on a compact manifold can be computed as a sum of indexes of Callias-type operators on two noncompact but topologically simpler manifolds. As another application, we give a new proof of the relative index theorem for Callias-type operators, which also leads to a new proof of the Callias index theorem.
On the Brunn-Minkowski inequality for general measures with applications to new isoperimetric-type inequalities

In this paper we present new versions of the classical Brunn-Minkowski inequality for dierent classes of measures and sets. We show that the inequality (A + (1 )B) 1=n (A) 1=n + (1 ) (B) 1=n holds true for an unconditional product measure with decreasing density and a pair of unconditional convex bodies A;B R n . We also show that the above inequality is true for any unconditional logconcave measure and unconditional convex bodiesA;B R n . Finally, we prove that the inequality is true for a symmetric log-concave measure and a pair of symmetric convex sets A;B R 2 , which, in particular, settles two-dimensional case of the conjecture for Gaussian measure proposed in [13]. In addition, we deduce the 1=n-concavity of the parallel volume t7! (A +tB), Brunn’s type theorem and certain analogues of Minkowski first inequality.
Counting $G$-extensions by discriminant

The problem of analyzing the number of number field extensions $L/K$ with bounded (relative) discriminant has been the subject of renewed interest in recent years, with significant advances made by Schmidt, Ellenberg-Venkatesh, Bhargava, Bhargava-Shankar-Wang, and others. In this paper, we use the geometry of numbers and invariant theory of finite groups, in a manner similar to Ellenberg and Venkatesh, to give an upper bound on the number of extensions $L/K$ with fixed degree, bounded relative discriminant, and specified Galois closure.
The Weil-Petersson geodesic flow is ergodic

We prove that the geodesic flow for the Weil-Petersson metric on the moduli space of Riemann surfaces is ergodic (and in fact Bernoulli) and has finite, positive metric entropy.
Blind Deconvolution Meets Blind Demixing: Algorithms and Performance Bounds

Suppose that we have $r$ sensors and each one intends to send a function ${g}_{i}$ (e.g., a signal or an image) to a receiver common to all $r$ sensors. During transmission, each ${g}_{i}$ gets convolved with a function ${f}_{i}$ . The receiver records the function ${y}$ , given by the sum of all these convolved signals. When and under which conditions is it possible to recover the individual signals ${g}_{i}$ and the blurring functions ${f}_{i}$ from just one received signal ${y}$ ? This challenging problem, which intertwines blind deconvolution with blind demixing, appears in a variety of applications, such as audio processing, image processing, neuroscience, spectroscopy, and astronomy. It is also expected to play a central role in connection with the future Internet-of-Things. We will prove that under reasonable and practical assumptions, it is possible to solve this, otherwise, highly ill-posed problem and recover the $r$ transmitted functions ${g}_{i}$ and the impulse responses ${f}_{i}$ in a robust, reliable, and efficient manner, from just one single received function ${y}$ by solving a semidefinite program. We derive explicit bounds on the number of measurements needed for successful recovery and prove that our method is robust in the presence of noise. Our theory is actually suboptimal, since numerical experiments demonstrate that, quite remarkably, recovery is still possible if the number of measurements is close to the number of degrees of freedom.
On quantum groups associated to a pair of preregular forms

We define the universal quantum group $\mathcal{H}$ that preserves a pair of Hopf comodule maps, whose underlying vector space maps are preregular forms defined on dual vector spaces. This generalizes the construction of Bichon and Dubois-Violette (2013), where the target of these comodule maps are the ground field. We also recover the quantum groups introduced by Dubois-Violette and Launer (1990), by Takeuchi (1990), by Artin, Schelter, and Tate (1991), and by Mrozinski (2014), via our construction. As a consequence, we obtain an explicit presentation of a universal quantum group that coacts simultaneously on a pair of $N$-Koszul Artin-Schelter regular algebras with arbitrary quantum determinant.
A structure-preserving pivotal method for affine variational inequalities

Affine variational inequalities (AVI) are an important problem class that subsumes systems of linear equations, linear complementarity problems and optimality conditions for quadratic programs. This paper describes PathAVI, a structure-preserving pivotal approach, that can efficiently process (solve or determine infeasible) large-scale sparse instances of the problem with theoretical guarantees and at high accuracy. PathAVI implements a strategy known to process models with good theoretical properties without reducing the problem to specialized forms, since such reductions may destroy sparsity in the models and can lead to very long computational times. We demonstrate formally that PathAVI implicitly follows the theoretically sound iteration paths, and can be implemented in a large scale setting using existing sparse linear algebra and linear programming techniques without employing a reduction. We also extend the class of problems that PathAVI can process. The paper illustrates the effectiveness of our approach by comparison to the Path solver used on a complementarity reformulation of the AVI in the context of applications in friction contact and Nash Equilibria. PathAVI is a general purpose solver, and freely available under the same conditions as Path.
Canonical Agler decompositions and transfer function realizations

A seminal result of Agler proves that the natural de Branges-Rovnyak kernel function associated to a bounded analytic function on the bidisk can be decomposed into two shift-invariant pieces. Agler’s decomposition is non-constructive—a problem remedied by work of Ball-Sadosky-Vinnikov, which uses scattering systems to produce Agler decompositions through concrete Hilbert space geometry. This method, while constructive, so far has not revealed the rich structure shown to be present for special classes of functions—inner and rational inner functions. In this paper, we show that most of the important structure present in these special cases extends to general bounded analytic functions. We give characterizations of all Agler decompositions, we prove the existence of coisometric transfer function realizations with natural state spaces, and we characterize when Schur functions on the bidisk possess analytic extensions past the boundary in terms of associated Hilbert spaces.
Sparse signal recovery using generalized approximate message passing with built-in parameter estimation

The generalized approximate message passing (GAMP) algorithm under the Bayesian setting shows significant advantages in recovering under-sampled sparse signals from corrupted observations. Compared to conventional convex optimization methods, it has a much lower complexity and is computationally tractable. Under the GAMP framework, the sparse signal and the observation are viewed to be generated according to some pre-specified probability distributions in the input and output channels. However, the parameters of the distributions are usually unknown in practice and need to be decided. In this paper, we propose an extended GAMP algorithm with built-in parameter estimation (PE-GAMP). Specifically, PE-GAMP treats the parameters as unknown random variables with simple priors and jointly estimates them with the sparse signals along the recovery process. Sparse signal recovery experiments confirm PE-GAMP's convergence behavior and show that its performance matches the oracle GAMP algorithm that has the knowledge of the true parameter values.
Algebraic differential equations from covering maps

Abstract Let Y be a complex algebraic variety, G ↷ Y an action of an algebraic group on Y, U ⊆ Y ( C ) a complex submanifold, Γ G ( C ) a discrete, Zariski dense subgroup of G ( C ) which preserves U, and π : U → X ( C ) an analytic covering map of the complex algebraic variety X expressing X ( C ) as Γ \ U . We note that the theory of elimination of imaginaries in differentially closed fields produces a generalized Schwarzian derivative χ ˜ : Y → Z (where Z is some algebraic variety) expressing the quotient of Y by the action of the constant points of G. Under the additional hypothesis that the restriction of π to some set containing a fundamental domain is definable in an o-minimal expansion of the real field, we show as a consequence of the Peterzil–Starchenko o-minimal GAGA theorem that the prima facie differentially analytic relation χ : = χ ˜ ∘ π − 1 is a well-defined, differential constructible function. The function χ nearly inverts π in the sense that for any differential field K of meromorphic functions, if a , b ∈ X ( K ) then χ ( a ) = χ ( b ) if and only if after suitable restriction there is some γ ∈ G ( C ) with π ( γ ⋅ π − 1 ( a ) ) = b .
Higher dimensional Ginzburg–Landau equations under weak anchoring boundary conditions

Abstract For n ≥ 3 and 0 ϵ ≤ 1 , let Ω ⊂ R n be a bounded, simply connected, smooth domain, and u ϵ : Ω ⊂ R n → R 2 solve the Ginzburg–Landau equation under the weak anchoring boundary condition: { − Δ u ϵ = 1 ϵ 2 ( 1 − | u ϵ | 2 ) u ϵ in Ω , ∂ u ϵ ∂ ν + λ ϵ ( u ϵ − g ϵ ) = 0 on ∂ Ω , where the anchoring strength parameter λ ϵ = K ϵ − α for some K > 0 and α ∈ [ 0 , 1 ) , and g ϵ ∈ C 2 ( ∂ Ω , S 1 ) . Motivated by the connection with the Landau–De Gennes model of nematic liquid crystals under weak anchoring conditions, we study the asymptotic behavior of u ϵ as ϵ goes to zero under the condition that the total modified Ginzburg–Landau energy satisfies F ϵ ( u ϵ , Ω ) ≤ M | log ⁡ ϵ | for some M > 0 .
Learning Patterns for Detection with Multiscale Scan Statistics

This paper addresses detecting anomalous patterns in images, time-series, and tensor data when the location and scale of the pattern is unknown a priori. The multiscale scan statistic convolves the proposed pattern with the image at various scales and returns the maximum of the resulting tensor. Scale corrected multiscale scan statistics apply different standardizations at each scale, and the limiting distribution under the null hypothesis---that the data is only noise---is known for smooth patterns. We consider the problem of simultaneously learning and detecting the anomalous pattern from a dictionary of smooth patterns and a database of many tensors. To this end, we show that the multiscale scan statistic is a subexponential random variable, and prove a chaining lemma for standardized suprema, which may be of independent interest. Then by averaging the statistics over the database of tensors we can learn the pattern and obtain Bernstein-type error bounds. We will also provide a construction of an $\epsilon$-net of the location and scale parameters, providing a computationally tractable approximation with similar error bounds.
Linear time-periodic dynamical systems: an H2 analysis and a model reduction framework

ABSTRACTLinear time-periodic (LTP) dynamical systems frequently appear in the modelling of phenomena related to fluid dynamics, electronic circuits and structural mechanics via linearization centred around known periodic orbits of nonlinear models. Such LTP systems can reach orders that make repeated simulation or other necessary analysis prohibitive, motivating the need for model reduction. We develop here an algorithmic framework for constructing reduced models that retains the LTP structure of the original LTP system. Our approach generalizes optimal approaches that have been established previously for linear time-invariant (LTI) model reduction problems. We employ an extension of the usual H2 Hardy space defined for the LTI setting to time-periodic systems and within this broader framework develop an a posteriori error bound expressible in terms of related LTI systems. Optimization of this bound motivates our algorithm. We illustrate the success of our method on three numerical examples.
Using Read-k Inequalities to Analyze a Distributed MIS Algorithm

Until recently, the fastest distributed MIS algorithm, even for simple graph classes such as unoriented trees that can contain large independent sets within neighborhoods, has been the simple randomized algorithm discovered independently by several researchers in the late 80s. This algorithm (commonly called Luby’s algorithm) computes an MIS of an n-node graph in O(log n) communication rounds (with high probability). This situation changed when Lenzen and Wattenhofer (PODC 2011) presented a distributed (randomized) MIS algorithm for unoriented treesrunning in O( sqrt (log n * log log n)) rounds. This algorithm was slightly improved by Barenboim et al. (FOCS 2012), resulting in an O( sqrt (log n * log log n))-round (randomized) MIS algorithm for trees. At their core, these algorithms still run Luby's algorithm, but only up to the point at which the graph has been "shattered" into small connected components that can be independently processed in parallel. The analyses of these tree MIS algorithms critically depends on "near independence" among probabilistic events, a feature that arises from the tree structure of the network. In their paper, Lenzen and Wattenhofer express hope that their algorithm and analysis could be extended to graphs with bounded arboricity. We show how to do this in the current paper. By using a new tail inequality for read-k families of random variables due to Gavinsky et al. (Random Struct Algorithms, 2015), we show how to deal with dependencies induced by the recent tree MIS algorithms when they are executed on bounded arboricity graphs. Specifically, we analyze a version of the tree MIS algorithm of Barenboim et al. and show that it runs in O(poly(a) * sqrt ( log n * log log n)) rounds in the CONGEST model for graphs with arboricity a. While the main thrust of this paper is the new probabilistic analysis via read-k inequalities, we point out that for small values of a, this algorithm is faster than the MIS algorithm of Barenboim et al. specifically designed for bounded arboricity graphs. In this context, it should be noted that recently (in SODA 2016) Ghaffari presented a novel distributed MIS algorithm for general graphs that runs in O (log d) + 2^O(sqrt(log log n)) rounds and a corollary of this algorithm is an O(log d + sqrt (log n))-round MIS algorithm on graphs with arboricity a.
Multi-view Networks for Multi-channel Audio Classification

In this paper we introduce the idea of multi-view networks for sound classification with multiple sensors. We show how one can build a multi-channel sound recognition model trained on a fixed number of channels, and deploy it to scenarios with arbitrary (and potentially dynamically changing) number of input channels and not observe degradation in performance. We demonstrate that at inference time you can safely provide this model all available channels as it can ignore noisy information and leverage new information better than standard baseline approaches. The model is evaluated in both an anechoic environment and in rooms generated by a room acoustics simulator. We demonstrate that this model can generalize to unseen numbers of channels as well as unseen room geometries.