cssi/SciSciGPT-SciSciNet huggingface dataset:
Domain Adverbs in Legal English Texts: Problems and Strategies

This paper aims at investigating the metalinguistic functions of domain adverbs in legal English. To achieve this aim, eleven extracts have been chosen purposely from the legal textbook Language and the Law (1994) within the framework of pragmatics as a perspective. It is argued here that domain adverbs are indispensable in legal English because they are perquisites for the process of generating meaning in discourse. The results of the analysis reveal that domain adverbs operate at two levels of analysis: discoursal and pragmatic. At discoursal level, they are essential for achieving coherence, cohesion, and relevance. At pragmatic level, they incorporate metalinguistic comments into sentences. This dual function makes them pervasive in language use. This is why they occur in legal texts. Their occurrence in such texts narrows down the gap between legal English and ordinary language. As such, they pave the way for the problem of legalese, and lend some support to a minimum universality of language use against the Linguistic Relativity Principle proposed by Sapir and Whorf, which is known as Sapir-Whorf Hypothesis.
Intracapsular Allogenic Dermal Grafts for Periprosthetic Breast Implant Problems

The previously underappreciated problem of periprosthetic atrophy has emerged. An inadequate capsular envelope is the common denominator contributing to a variety of problems. These include visible rippling, bottoming out, implant malposition, and perhaps symmastia. Although a thin capsule is not always the sole cause of these problems, recognizing it as an element of the underlying pathophysiology holds the key to correcting it. Intracapsular Alloderm grafting provides a versatile option for capsular reinforcement in cases of periprosthetic atrophy. While not especially challenging technically, precise planning and execution are required for optimal results. The grafts are long-lasting and appear to pose minimal risk.
Effects of a consumer driven health plan on pharmaceutical spending and utilization.

Objectives To compare pharmaceutical spending and utilization in a consumer driven health plan (CDHP) with a three-tier pharmacy benefit design, and to examine whether the CDHP creates incentives to reduce pharmaceutical spending and utilization for chronically ill patients, generic or brand name drugs, and mail-order drugs.
Bonding studies in group IV substituted anilines : II. The stabilities of the ion radicals

Abstract The relative stabilities of the cation radicals of several Group IV substituted anilines have been determined by cyclic voltammetry. They are p -tert-butyl- > m -trimethylsilyl- > p -trimethylsilyl- > p -trimethylgermyl- ⪢ N,N -dimethylaniline radical cation. The order of stability parallels that of the compounds towards protodemetalation. CNDO/2 calculations of the charge distribution in the ground states and cation radicals of the molecules resolve the apparent, anomaly in the rates of protodesilylation of m - and p -trimethylsilyl- N,N -dimethylaniline. A mechanism for the chemical reactions of the radical cations which is consistent with the experimental and theoretical results is proposed. It involves nucleophilic displacement of the metal from the cation radical prior to the coupling of the radicals. The relative stabilities of the radical cations of the silicon compounds are in the same order as the amount of π character of the SiC bond in the radical cation. The CNDO/2 calculations indicate that this π character is due to both ( p-p )π and ( p-d )π interactions in the neutral molecules and in the radical cations.
Homeless Veterans and Child Support

While the problem of homelessness continues to plague America, the disproportionate appearance of veterans among the homeless population is particularly troubling. The reasons why veterans are disproportionately represented within the homeless population are numerous and complex, but research demonstrates clearly that child support obligations play an extremely large role in preventing homeless veterans from returning to be productive members of society. The following essay explains the role of child support obligations in contributing to homelessness among veterans, and makes recommendations for easing the weight of such obligations on veterans, while at the same time protecting the interests of children, custodial parents, and government entities.
The golden rule and the ten commandments of teleteaching: harnessing the power of technology in education

Few will disagree that ’teleteaching‘ or teaching using computers and telecommunications technology is becoming increasingly popular among educators. There is much more uncertainty, however, about whether technology is as effective a mode of teaching as its proponents claim. This hesitation in endorsing technology is undoubtedly a result of the inconclusive results of teaching experiments using technology with out an adequate pedagogical base. This paper proposes guidelines for the effective use of technology. These may help the educator to avoid frustrating and stultifying practices that may prejudice the educator and student against using a rich educational resource. While the golden rule urges a two-way constructivist approach to teaching, the ten commandments draw the educator‘s attention to issues of access, hardware and software selection, learner and teacher preparedness for technology, and human factors in the use of technology
On the Effective Continuum Method for Modeling Multiphase Flow, Multicomponent Transport, and Heat Transfer in Fractured Rock

Flow and transport through fractured porous media occurs in many subsurface systems and has received considerable attention in recent years due to the importance in the areas of underground natural resource recovery, waste storage, and environmental remediation scheme. Among the methods of handling fracture/matrix flow and transport through geological media, the effective continuum method (ECM) has been widely used, and misused in some cases, because of its simplicity in terms of data requirements and computational efficiency. This paper presents a rigorous, generalized effective continuum formulation, which has been implemented into the TOUGH2 code (Pruess, 1991) for modeling multiphase, multicomponent, non-isothermal flow and transport in fractured rocks. Also included in the paper are discussions of the conditions under which the ECM approach applies and the procedures for evaluating the effective parameters for both flow and transport simulations. Three application examples, one multiphase flow, one heat flow and one chemical transport problem, are given to demonstrate the usefulness of the ECM method.
No Laughing Matter: The Power of Cyberspace to Subvert Conventional Media Gatekeepers

This article uses Jon Stewart’s October 15, 2004, appearance on the U.S. program Crossfire and Stephen Colbert’s April 29, 2006, speech at the White House Correspondents’ Dinner to illustrate how the diffused nature of cyberspace enables Internet users to promulgate news stories. This allows users to drive mainstream media gatekeepers to engage in what is described as “forced reflexivity,” covering critiques of their own complicity in media hegemony. In each case, a prominent comedian offered an in-person critique of members of the mainstream media in a newsworthy context, arguing that the media had been complicit in the machinations of Washington politicians. And in each case, subsequent Internet dissemination of video clips of these appearances circumvented traditional media gatekeepers while forcing them to cover those critiques.
Neutron Activation Analysis of Obsidian: An Example of Its Relevance to Northwestern Plains Archaeology

AbstractBy a process of neutron activation, obsidian samples from an archaeological site may be traced to their quarry sources. The potential of this type of information remains largely unexplored ...
Dry-surface coating method for visualization of separation on a bluff body

A simple and relatively accurate dry-surface coating method for visualization of the flow separation on a circular cylinder (or any bluff body) during wind tunnel tests is described. The technique consists of (1) application of a thin coating composed of an indicator and a paint carrier; (2) drying of the film; (3) conditioning of the coating with an acidic solution to ensure a suitable color reaction; (4) release into the body wake of a gas able to produce a base through chemical reaction with the solvent of the conditioning solution; and (5) color reaction according to pH.
On Monomial Reduction and Polynomial Expressions with Respect to Binomial Ideals

Let I ⊂ K[x 1,…, x n ] be an ideal and G be the reduced Grobner basis of I with respect to lexicographic monomial order. We introduce the index of an expression of f ∈ K[x 1,…, x n ] with respect to G. A minimal expression is characterized as the one with zero G-index. In case where I is a binomial prime ideal, a new division algorithm with minimal and unique expression is presented. The application of our new method on benchmark polynomial systems cyclic-9 and cyclic-12 shows its superiority in comparison with the existing division algorithm.
Study of nine cation levels in term placentas: II. Changes associated with toxemia of pregnancy and fetal prematurity

Abstract Aliquots of term placentas were obtained at delivery for one year. Of 632 samples collected, 554 were from products of a normal gestation, 30 from a toxemic pregnancy, and 48 obtained at the deliveries of premature infants. The tissue levels of sodium, potassium, calcium, magnesium, zinc, lead, copper, and iron were determined by atomic absorption spectrophotometry. A comparison of the resultant data of the three groups represented indicates that, in addition to differences in maternal, fetal, and placental weights, statistically significant differences were observed in the placental levels of sodium, calcium, and possibly potassium. Furthermore, a product-moment study between the monthly mean cation levels and the corresponding monthly incidence of toxemia indicates a positive correlation between toxemia and the placental levels of magnesium and iron, and a negative correlation with the placental levels of sodium, potassium, and lead.
Crucial Role of Macrophage Selenoproteins in Experimental Colitis

Inflammation is a hallmark of inflammatory bowel disease (IBD) that involves macrophages. Given the inverse link between selenium (Se) status and IBD-induced inflammation, our objective was to demonstrate that selenoproteins in macrophages were essential to suppress proinflammatory mediators, in part, by the modulation of arachidonic acid metabolism. Acute colitis was induced using 4% dextran sodium sulfate in wild-type mice maintained on Se-deficient (<0.01 ppm Se), Se-adequate (0.08 ppm; sodium selenite), and two supraphysiological levels in the form of Se-supplemented (0.4 ppm; sodium selenite) and high Se (1.0 ppm; sodium selenite) diets. Selenocysteinyl transfer RNA knockout mice ( Trsp fl/fl LysM Cre) were used to examine the role of selenoproteins in macrophages on disease progression and severity using histopathological evaluation, expression of proinflammatory and anti-inflammatory genes, and modulation of PG metabolites in urine and plasma. Whereas Se-deficient and Se-adequate mice showed increased colitis and exhibited poor survival, Se supplementation at 0.4 and 1.0 ppm increased survival of mice and decreased colitis-associated inflammation with an upregulation of expression of proinflammatory and anti-inflammatory genes. Metabolomic profiling of urine suggested increased oxidation of PGE2 at supraphysiological levels of Se that also correlated well with Se-dependent upregulation of 15-hydroxy-PG dehydrogenase (15-PGDH) in macrophages. Pharmacological inhibition of 15-PGDH, lack of selenoprotein expression in macrophages, and depletion of infiltrating macrophages indicated that macrophage-specific selenoproteins and upregulation of 15-PGDH expression were key for Se-dependent anti-inflammatory and proresolving effects. Selenoproteins in macrophages protect mice from dextran sodium sulfate–colitis by enhancing 15-PGDH–dependent oxidation of PGE2 to alleviate inflammation, suggesting a therapeutic role for Se in IBD.
Contention sensitive fault-tolerant routing algorithms for hypercubes

We present two new fault tolerant routing algorithms for hypercubes. The first algorithm requires only local knowledge of the faults whereas the second algorithm requires global knowledge. Unlike previous fault tolerant routing algorithms, our algorithms take into consideration the dynamic conditions (link contention) of the network. We have shown that checking for dynamic conditions in fault tolerant algorithms is essential. Performance evaluation by extensive simulation of our algorithms and other fault tolerant routing algorithms show that ours are better than previous algorithms by as much as 50%; and 500%; in time and space, respectively. We also observed that global information about the location of faults does not give us additional benefit. This observation is true regardless of the consideration of the dynamic conditions in the network. >
The effect of adaptive mutagenesis on genetic variation at a linked, neutral locus

Based on recent studies in single-celled organisms, it has been argued that a fitness benefit associated with a mutation will increase the probability of that mutation occurring. This increase is independent of mutation rates at other loci and is called adaptive mutagenesis. We modeled the effect of adaptive mutagenesis on populations of haploid organisms with adaptive mutation rates ranging from 0 to 1 x 10(-5). Allele frequencies at the selected locus and a neutral linked locus were tracked. We also observed the amount of linkage disequilibrium during the selective sweep and the final heterozygosity after the sweep. The presence of adaptive mutagenesis increases the number of genetic backgrounds carrying the new fitter allele, making the outcomes more representative of the population before the selection. Therefore, more neutral genetic variation is preserved in simulations with adaptive mutagenesis than in those without it due to hitchhiking. Since adaptive mutagenesis is time-dependent, it can generate mutants when other mechanisms of mutation cannot. In addition, adaptive mutagenesis has the potential to confound both phylogeny construction and the detection of natural selection from patterns of nucleotide variation.
Surgeon radiation exposure in cone beam computed tomography-based, image-guided spinal surgery

Background Radiation exposure to the surgeon is a concern in spinal surgery, especially with the increasing popularity of minimally invasive spinal surgery techniques. Three-dimensional (3D) image guidance used in conjunction with cone beam computed tomography (cbCT) has a theoretical advantage of decreased radiation exposure to the surgeon and operating room (OR) staff. Radiation scatter to the environment immediately surrounding a CT scanner during acquisition of a CT scan is a known entity. This in vivo study measures the radiation exposure to the surgeon when using cbCT registration in 3D image-guided spinal surgery. Methods Two badge dosimeters were worn by the surgeon (EWN), one on the right waistband of the surgeon's scrubs and the other located over the thyroid area during 25 consecutive spinal surgery cases in which cbCT was used in conjunction with 3D image guidance. No lead protection was worn by the surgeon. The cbCT device was used for registration of the anatomy and to confirm adequate instrumentation placement. The surgeon stood behind a clear lead shield in the same location during every spin of the cbCT device. After the 25th case, the badge dosimeters were sent to the radiology department for analysis. Results Overall, 63 cbCT spins were accomplished in 25 patients. A total of 228 screws were placed into spinal levels spanning from C2 to the ileum. No complications resulted from instrumentation placement or the use of image guidance.Analysis of both badge dosimeters revealed 0 millirem (mRem) exposure. Conclusions Our study demonstrates that no radiation exposure to the surgeon occurs in cbCT-based, 3D image-guided spinal surgery procedures. Additionally, radiation scatter does not result in surgeon radiation exposure during patient registration if the surgeon stands behind a lead shield 10 feet from the cbCT device and not in direct line with the opening of the cbCT tube. Copyright © 2011 John Wiley & Sons, Ltd.
Rac1 and Toll-IL-1 Receptor Domain-Containing Adapter Protein Mediate Toll-Like Receptor 4 Induction of HIV-Long Terminal Repeat

Opportunistic infections, common in HIV-1-infected patients, increase HIV replication; however, the intracellular signaling mechanisms involved are not clearly known. We have shown that Toll-like receptor 2 (TLR2), TLR4, and TLR9 mediate microbial Ag-induced HIV-long terminal repeat (HIV-LTR) trans-activation and HIV-1 replication, and that LPS-induced HIV-LTR trans-activation is mediated through myeloid differentiation adapter protein. Recently, Toll-IL-1R domain-containing adapter protein (TIRAP) has been identified as an adapter molecule that mediates responses to TLR2 and TLR4 ligands, and TIRAP was suggested to provide signaling specificity for different TLRs. Rac1, a small GTP-binding protein that is activated upon LPS stimulation of macrophages, activates phosphatidylinositol 3-kinase and Akt and leads to NF-κB activation. The roles of Rac1 and TIRAP in LPS activation of HIV replication is not known. In the present study we show that LPS stimulation of human microvessel endothelial cells leads to Rac1 activation. Constitutively active Rac1 (Rac1V12) simulated the effect of LPS to activate HIV-LTR, whereas the expression of dominant negative Rac1 (Rac1N17) partially blocked LPS-induced HIV-LTR trans-activation. Rac1V12-induced HIV-LTR activation was independent of myeloid differentiation adapter protein, and dominant negative TIRAP blocked Rac1V12-induced HIV-LTR trans-activation. In this study we show for the first time that activation of Rac1 leads to HIV-LTR trans-activation, and this is mediated through TIRAP. Together these results underscore the importance of Rac1 and TIRAP in TLR4 activation of HIV replication and help delineate the signaling pathways induced by TLRs to mediate microbial Ag-induced HIV replication and HIV pathogenesis.
Metabolism of 1-14C-ornithine and 1,4-14C-putrescine in chronically uremic and control rats

Abstract The metabolism of ornithine and putrescine was studied in vivo in chronically uremic and control rats. Rats were injected intraperitoneally with 1- 14 C-ornithine or 1,4- 14 C-putrescine and expired 14 CO 2 was collected for 4 hr. After injection of 1- 14 C-ornithine, 14 CO 2 expiration was decreased in uremic rats as compared to controls. Conversely, after 1,4- 14 C-putrescine injection, expiration of 14 CO 2 was increased in uremic rats as compared to controls. Four hours after the injection of 1- 14 C-ornithine, there was more radioactivity in liver and muscle and less radioactivity in kidney of uremic rats as compared to the respective sources in control rats. In uremic rats, 4 hr after the 1,4- 14 C-putrescine injection, the radioactivity retained in the muscle and plasma was greater than in corresponding sources in control rats; whereas the radioactivity retained in uremic liver and kidney was similar to that of control rats. The greater putrescine-derived radioactivity retained in uremic tissues reflects either the retention of injected tracer compounds, or retention or decreased catabolism of putrescine metabolites. From 14 CO 2 expiration data obtained, it appears that ornithine catabolism is reduced while putrescine catabolism is increased in uremia.
Experimental Induction of Lumbar Spine Compression-Flexion Injuries

Biomechanical research was conducted to outline mechanisms of cervical and lumbar vertebral body burst and wedge fractures using spines obtained from post-mortem human subjects (PMHS) and animals [1–5]. These studies incorporated full columns [1, 2] or, more commonly, three-body vertebral segments [3–6]. The method of load application most often involved static specimen placement with dynamic load application to the superior fixation using a weight-drop method or an MTS piston. While these studies experimentally induced vertebral body burst fractures, as clinically demonstrated following abrupt and severe axial loading through the pelvis, fractures resulted from unrealistic experimental boundary conditions. For example, three-body vertebral segments remove effects of spinal curvature and weight-drop or piston load application to the cranial fixation does not replicate the acceleration-driven loading as applied to the base of the spine, wherein characteristics of the acceleration versus time pulse are important in injury type and severity. Therefore, the present study developed an experimental model to mimic real-world loading situations resulting in vertebral body burst and wedge fractures.Copyright © 2010 by ASME
Radio frequency identification prototyping

While RFID is starting to become a ubiquitious technology, the variation between different RFID systems still remains high. This paper presents several prototyping environments for different components of radio frequency identification (RFID) tags to demonstrate how many of these components can be standardized for many different purposes. We include two active tag prototypes, one based on a microprocessor and the second based on custom hardware. To program these devices we present a design automation flow that allows RFID transactions to be described in terms of primitives with behavior written in ANSI C code. To save power with active RFID devices we describe a passive transceiver switch called the “burst switch” and demonstrate how this can be used in a system with a microprocessor or custom hardware controller. Finally, we present a full RFID system prototyping environment based on real-time spectrum analysis technology currently deployed at the University of Pittsburgh RFID Center of Excellence. Using our prototyping techniques we show how transactions from multiple standards can be combined and targeted to several microprocessors include the Microchip PIC, Intel StrongARM and XScale, and AD Chips EISC as well as several hardware targets including the Altera Apex, Actel Fusion, Xilinx Coolrunner II, Spartan 3 and Virtex 2, and cell-based ASICs.
Uptake of fatty acids by acanthamoeba

Abstract 1. 1. In the process of uptake of [1-14C]palmitate by Acanthamoeba, two classes of fatty acids are bound to the cells. These are distinguishable by the fact that one class of fatty acids was removed by washing the cells in 1% albumin. Neither class of fatty acids was removed by washing the amoebae in inorganic buffer. 2. 2. The uptake of both classes of fatty acids was proportional to the concentration of substrate, the concentration of cells, and the length of incubation. 3. 3. The class of fatty acids that was not removed by washing the cells with albumin was converted upon longer incubation into neutral esters and phospholipids. The other class of fatty acids appeared to be metabolically inert. 4. 4. Because of the relative speeds of the two processes, the uptake of fatty acids and their conversion to esterified form can be separated experimentally and, therefore, studied independently. 5. 5. When cells loaded with [1-14C]palmitate were homogenized and fractionated by differential centrifugation, radioactivity was recovered in all fractions but predominantly in the 500 × g precipitate. All of the fractions bound [1-14C]palmitate when incubated separately.
A computational analysis of electronic effects of borazine and its monosubstituted derivatives

Abstract The effect of several subtituent groups on the borazine ring has been investigated by an ab initio molecular orbital (SCF) method at the 6-31G level. The optimized geometry was used to calculate the molecular electrostatic potential of these structures at the 6-31G level. The negative potentials generated near the B-H protons suggest that these protons are more easily substituted than the N-H protons in borazine. The magnitude of the negative potential near the B-H protons decreases in the order OH > F > NO2, reflecting their varying electron-withdrawing ability. Both the methyl and amino groups tend to increase this negative potential indicating their electron-donating ability.
Ferroelectric thin films prepared by sol-gel processing

Abstract Ferroelectric thin films are playing a growing role as key elements in variety of devices. For various techniques of ferroelectric thin film preparation, the sol-gel processing is one of the most promising. In comparison with different deposition techniques, we survey the intrinsic advantages and the recent improvements of the sol-gel processing. In this review paper, several interesting topics, including epitaxial growth and grain-orientation, symmetric and asymmetric P-E hysteresis loops, heterojunction effect of the interface between film and substrate, to attest pyroelectricity of the films, electrooptic coefficients in poled and unpoled films, possibility of amorphous ferroelectrics, etc., are introduced.
Relationships between soil microbial biomass determined by chloroform fumigation-extraction, substrate-induced respiration, and phospholipid fatty acid analysis.

Abstract The soil microbial biomass (SMB) is responsible for many of the cycles and transformations of nutrients in soils. Three methods of measuring and describing this pool in soil are: (1) chloroform fumigation–extraction (CFE), (2) substrate-induced respiration, and (3) total extractable phospholipid fatty acids (PLFA). This study was conducted to seek a relationship between microbial PLFA and measures of SMB. Microbial PLFA was best predicted by CFE (R2=0.77); 1 nmol of PLFA corresponded to a flush of 2.4 μg C released by fumigation. This conversion factor will be useful in discussions of microbial populations and diversity and allow comparisons to literature in which only CFE is used to describe the size of the microbial biomass.
The C Terminus is Responsible of the Thermo Sensitivity in TRPM8 Channels

TRPM8 channels are a polymodal receptors activated by voltage, low temperatures and agonists. The structural data suggests that the distal C-terminus (1064-1104 amino acid residues) form a coiled-coil motif. Our aim was to investigate the importance of this structure in the thermo-sensitivity of TRPM8. TRPM8 wild type and deletion mutants of the coiled-coil region of this channel were cloned and expressed in Xenopus oocytes. Electrophysiological measurements were performed 48-72 hr after mRNA microinjection. Macroscopic currents were recorded by patch-clamp technique in cell-attached configuration at different temperatures (10- 40°C). An analysis of the conductance-voltage curves determined from tail currents showed that values of the voltage at which the open probability is 0,5 (V1/2) saturate at high and low temperatures. These results and limiting slope analysis of the open probability-voltage curves demonstrated that TRPM8 channel gating is best explained using an allosteric gating model for both voltage and temperature dependence. On the other hand, gradual deletions of the coiled-coil region (from 1064 to 1104 residues) promoted a gradual decrease in the temperature sensitivity of TRPM8 channel, without affecting the voltage dependence. The decrease in the enthalpy (H) promoted by gradual deletions of the distal C-terminus suggests that coiled-coil region is a structural determinant of the thermo sensitivity in TRPM8 channels. Our results also indicate that the voltage and temperature sensors are localized in different structural domains. Supported by FONDECYT grants 1110430 to R.L, CONICYT AT-24100020 to N.R. CINV is a Millennium Scientific Institute.
Sparse modeling of magnitude and phase-derived spectra for playing technique classification

Computational modeling of musical timbre is important for a variety of music information retrieval applications. While considerable progress has been made to recognize musical genres and instruments, relatively little attention has been paid to modeling playing techniques, which affect timbre in more subtle ways. In this paper, we contribute to this area of research by systematically evaluating various audio features and processing methods for multi-class playing technique classification, considering up to nine distinct playing techniques of bowed string instruments. Specifically, a collection of 6,759 chamber-recorded single notes of four bowed string instruments and a collection of 33 real-world solo violin recordings are used in the evaluation. Our evaluation shows that using sparse features extracted from the magnitude spectra and phase derivatives including group delay function (GDF) and instantaneous frequency deviation (IFD) leads to significantly better performance than using a combination of state-of-the-art temporal, spectral, cepstral and harmonic feature descriptors. For playing technique classification of violin singe notes, the former approach attains 0.915 macro-average F-score under a tenfold cross validation setting, while the latter only attains 0.835. Moreover, sparse modeling of magnitude and phase-derived spectra also performs well for single-note joint instrument-technique classification (F-score 0.770) and for playing technique classification of real-world violin solos (F-score 0.547). We find that phase information is particularly important in discriminating playing techniques with subtle differences, such as playing with different bowing positions (i.e., normal, sul tasto, and sul ponticello). A systematic investigation of the effect of parameters such as window sizes, hop factors, window types for phase-derived features is also reported to provide more insights.
Chemical Structural Novelty: On-Targets and Off-Targets

Drug structures may be quantitatively compared based on 2D topological structural considerations and based on 3D characteristics directly related to binding. A framework for combining multiple similarity computations is presented along with its systematic application to 358 drugs with overlapping pharmacology. Given a new molecule along with a set of molecules sharing some biological effect, a single score based on comparison to the known set is produced, reflecting either 2D similarity, 3D similarity, or their combination. For prediction of primary targets, the benefit of 3D over 2D was relatively small, but for prediction of off-targets, the added benefit was large. In addition to assessing prediction, the relationship between chemical similarity and pharmacological novelty was studied. Drug pairs that shared high 3D similarity but low 2D similarity (i.e., a novel scaffold) were shown to be much more likely to exhibit pharmacologically relevant differences in terms of specific protein target modulation.
Is there a correlation between spin-lattice relaxation time and radiation sensitivity ?

The sensitivity for cell death induced by ionizing radiation and the spin-lattice relaxation time of water protons varies with the concentration of paramagnetic molecular oxygen. These two effects are complementary.
Thyroid Carcinoma in Patients with Graves’ Disease: an Institutional Experience

Graves' disease (GD) is an autoimmune disorder characterized by diffuse hyperplasia and excessive production of thyroid hormone. The association between thyroid carcinoma and GD is controversial. The prevalence of thyroid carcinoma was investigated in patients with GD who underwent thyroidectomy for thyroid nodular lesions or GD from 1994 to 2013 at our institution. Three hundred and forty-seven patients were placed into two groups: Graves' disease with nodular lesions group (group GN) included 85 patients who had thyroidectomy for nodular lesion, and Graves' disease group (group G) included 262 patients who had thyroidectomy for hyperthyroidism. There were 59 patients with thyroid carcinomas in the 85 patients (69 %) of group GN, including 3 follicular carcinomas (5 %), 1 poorly differentiated carcinoma (2 %), and 55 papillary thyroid carcinomas (93 %). Among the 55 papillary thyroid carcinomas, 19 cases were papillary thyroid microcarcinomas (34 %); and 5 cases of tall cell variant (9 %) were identified. There were 8 cases with lymph node metastasis (14 %), 6 cases with lymphovascular invasion (10 %), and 12 cases with extrathyroidal invasion (20 %). In addition, 24 carcinomas showed multiple foci of tumor (41 %). In contrast, 51 patients (19 %) of 262 patients in group G had carcinoma, including 2 follicular carcinomas (4 %) and 49 papillary thyroid carcinomas (96 %). In the 49 cases of papillary thyroid carcinomas, 47 cases were microcarcinomas (96 %); and 2 cases of tall cell variant (4 %) were found. There were no lymph node metastasis or lymphovascular and extrathyroidal invasion, but 11 cases (22 %) demonstrated multiple carcinoma foci. In conclusion, thyroid nodular lesions in patients with GD should raise a high suspicion of carcinoma, and these lesions are frequently clinically significant tumors. Incidental thyroid carcinomas in patients with GD are not uncommon, but most of them are low-risk papillary thyroid microcarcinoma without lymph node metastasis or lymphovascular and extrathyroidal invasion.
Studies of mechanochemical interactions in the tribological behavior of materials

Mechanochemical interaction studies can contribute to the understanding of wear and friction of materials. Specific examples of experimental results relative to the subject are discussed. There are two parts: one describes the synergistic effect of corrosion and wear of iron sliding on sapphire in sulfuric acid, and the other describes the effect of surface films on the wear and friction of plasma-deposited diamondlike carbon (amorphous hydrogenated carbon) films in sliding contact with silicon nitride. The concentration of acid (pH) is an important factor in controlling the iron loss caused by wear-corrosion processes in sulfuric acid. The mechanical action can cause chemical reactions to proceed much faster than they would otherwise. The diamondlike carbon (DLC) films are shown to behave tribologically much like bulk diamond. In a dry nitrogen environment, a mechanochemical reaction produces a substance which greatly decreases the coefficient of friction. In a moist air environment, mechanochemical interactions drastically reduce the wear life of DLC films and water vapor greatly increases friction.
Hybrid Nanophotonic and Nanomechanical Interfaces for Spin Qubits

We will describe our recent theoretical and experimental work towards developing novel hybrid nanophotonic and nanomechanical quantum interfaces and quantum transducers for spin qubits in diamond. Possible applications of these techniques will be discussed.
Differential response of zircon U−Pb isotopic systematics to metamorphism across a lithologic boundary: an example from the Hope Valley Shear Zone, southeastern Massachusetts, USA

A detailed morphological, chemical and isotopic study of zircons from a single outcrop of two mineralogically and chemically distinct units of the late Precambrian Ponaganset gneiss was undertaken to investigate the effects of mylonitization and metamorphism on U-Pb isotopic systematics. Late Paleozoic, amphibolite-grade (approx. 600°C) mylonitization of the Ponaganset gneiss at this locality is associated with movement along the Hope Valley Shear Zone. The response of zircon to metamorphism in each gneiss unit is distinct: zircons in gray augen gneiss are uncorroded and not overgrown, whereas zircons from fluorite-bearing pink granitic gneiss are variably corroded and over 50% bear opaque overgrowths. The zircon overgrowths are chemically distinct from the primary cores, and contain high conentrations of Hf, U, HREE, and Th. Mylonite derived from the gray gneiss contains only a small population of Hf-U-rich metamorphic zircon, but zircons in the pink gneiss-derived mylonite are dominated by the Hf-U-rich metamorphic component. In terms of their U-Pb isotopic systematics, overgrowth-free zircons from both units are markedly discordant (gray, 10–20%, pink, 35%), but overgrown zircons from the pink gneiss are up to 70% discordant. Zircons from the mylonites yield younger Pb−Pb and U−Pb ages than those of the protolith gneisses, and isotopic data from each gneiss + mylonite pair define a linear array on concordia plots. Upper intercept ages of the gray gneiss (621+/−27 Ma) and the pink gneiss (635+/−50 Ma) indicate that the crystallization of both units was coeval, and the lower intercept ages (gray, 270+/−92 Ma; pink, 285+/−26 Ma) fall within the range of other published age estimates for Alleghanian metamorphism in southeastern New England (e.g., Zartman et al. 1988). New growth of zircon suggests that Zr was mobile during metamorphism. The presence of fluorite in the pink gneiss, and a discontinuity in log \(\left( {{{f_{{\text{H}}_{\text{2}} {\text{O}}} } \mathord{\left/{\vphantom {{f_{{\text{H}}_{\text{2}} {\text{O}}} } {f_{{\text{HF}}} }}} \right.\kern-\nulldelimiterspace} {f_{{\text{HF}}} }}} \right)\)values obtained from biotite across the pink gneiss-gray gneiss contact indicates that dissolution and reprecipitation of zircon may be related to local variations in HF fugacity. Zircon dissolution/reprecipitation in the pink gneiss, and the lack of similar features in the contiguous gray gneiss, suggests that the degree of isotopic perturbation of zircon during metamorphism is related to bulk chemistry, fluid chemistry and/or the degree of fluid-rock interaction.
Systematic random error correcting and all unidirectional error detecting codes

t-random-error correcting and all-unidirectional-error detecting (t-EC/AUED) codes obtained by appending a suffix to each codeword of a linear block code are presented. Although this technique has been previously used to construct such codes, a different approach is proposed that involves starting with a nonoptimal t-EC linear code to obtain more efficient t-EC/AUED codes. Specifically, t-EC/AUED codes constructed from an even-weight t-EC linear code are shown to require a shorter suffix than when a general t-EC linear code is used. The t-EC/AUED codes obtained in this manner are thoroughly compared to the best known codes, and are shown to require fewer bits in almost all cases. >
Diffusion-trapped airy beams in photorefractive media

We report the first experimental observation of self-trapped Airy beams in a nonlinear medium. As opposed to screening or photovoltaic spatial solitons, this new class of self-localized beams owes its existence to carrier diffusion effects. The asymmetric action of two-wave mixing supports the asymmetric intensity profile of the Airy states, with a balance that is independent of the beam intensity (unlike solitons). Further, the self-trapped wave packets self-bend during propagation at an acceleration rate that is independent of the thermal energy associated with the diffusive nonlinearity.
Long-term cultivation of diploid rat cells

Summary Long-term cultivation of rat embryo cells is described. Two cell lines derived originally from the same source of embryos and initially grown under different media conditions differed in general morphology and karyotype. One line has remained diploid without detectable chromosomal abnormalities for 40 transfers or approximately 18 months in vitro, the other line has undergone marked changes in chromosome number and morphology. It is suggested that the genetic stability of cultured cells is influenced by environmental conditions.
Nylon-3 copolymers that generate cell-adhesive surfaces identified by library screening.

Polymers in the nylon-3 family contain subunits derived from β-amino acids, which are linked to one another via amide bonds. Thus, the nylon-3 backbone is homologous to the α-amino acid-based backbone of proteins. This molecular-level homology suggests that nylon-3 materials might be intrinsically protein-mimetic. The experiments described here explore this prospect in the context of cell adhesion, with tissue engineering as a long-range goal. We have evaluated a small library of sequence-random nylon-3 copolymers for the ability to render surfaces attractive to NIH 3T3 fibroblast adhesion and spreading. Library screening was accomplished in a high-throughput, parallel mode via attachment of the copolymers in a two-dimensional array to a modified glass surface. Significant variations in fibroblast adhesion and spreading were observed as a function of nylon-3 subunit identity and proportion. Several of the nylon-3 copolymers supported cell adhesion and morphology that was comparable, or even superior, to that achieved on positive control substrates such as tissue culture polystyrene and collagen-coated glass. Moreover, studies conducted under serum-free conditions demonstrated that specific nylon-3 derivatives supported cell adhesion independently of serum protein adsorption. Although cell adhesion was diminished in the absence of serum, particular copolymers demonstrated an ability to support substantially greater cell adhesion than any of the other conditions, including the positive controls. The nylon-3 copolymers that were most effective at promoting adhesion to a modified glass surface proved also to be effective at promoting adhesion when attached to a PEG-based hydrogel, demonstrating the potential for these copolymers to be used in tissue engineering applications.
Benzene Exposure and Refractory Sideroblastic Erythropoiesis: Is There an Association?

The myelodysplastic syndromes (MDS) consist of a group of diverse hematological disorders that carry an increased risk of transforming into acute myeloid leukemia. They may appear de novo and without obvious cause (primary or de novo MDS) or be induced by certain mutagenic environmental or therapeutic toxins (secondary MDS). Excessive exposures to benzene are generally considered to be a potential environmental risk factor for both MDS and acute myeloid leukemia. However, such risk is unproven for each disease component within the MDS classification. A critical review of the refractory sideroblastic disorders strongly suggests that benzene exposure is not a potential cause of this distinct and still-evolving subset of MDS. The widely disparate nature of MDS suggests that epidemiologic studies can only provide meaningful data on associations and potential causation of its component syndromes by a disease-specific analysis, as is currently advocated for other hematological malignancies.
A study of the bimolecular intersystem crossing reaction induced in the first excited singlet of SO2 by collisions with O2 and other atmospheric gases

The relative intensities of phosphorescence of SO2(3B1) molecules have been determined following the optical excitation of SO2(1B1) molecules by a 2662 A laser pulse. From a kinetic treatment of these measurements, the intersystem crossing ratio, k2b/(k1b + k2b), was determined; SO2(1B1) + M SO2(3B1) + M (2b); SO2(1B1) + M SO2 + M (1b). With M = O2, N2, Ar, CO2, and CO, k2b/(k1b + k2b) = 0.030 ± 0.013, 0.034 ± 0.029, 0.025 ± 0.005, 0.052 ± 0.014, and 0.045 ± 0.028, respectively. These data allow a new, more quantitative evaluation of the extent of involvement of the “excess” triplet SO2 in the 3130 A-irradiated mixtures of SO2 and CO at high pressures [5, 6]. The new data are also of direct interest in the determination of the theoretical maximum rates of photooxidation of SO2 in the sunlight-irratiated atmosphere of the earth.
Review of the Catocala delilah species complex (Lepidoptera, Erebidae)

Th e members of the Nearctic Catocala delilah species complex are reviewed. One new species (C. caesia) and four new subspecies are described, one subspecies is reinstated to specifi c rank (C. desdemona), and one species and three subspecies are placed into synonymy. A neotype is designated for C. calphurnia and a lectotype is designated for C. desdemona.
Why have public university professors done so badly

Abstract Over the past twenty-five years, wages at public universities have not grown as quickly as at private universities, due to increased financial pressure. While keeping faculty salaries low cuts expenditures, it also puts at risk the quality of public higher education, by inducing higher-quality professors to seek jobs at comparable private universities. In this paper I look for evidence that lower wage growth has been offset by increases in other nonpecuniary benefits, but do not find evidence that this is the case. Rather, high-paying institutions also offer high levels of benefits, although the relationship is weaker for public universities.
Organ-specific autoimmunity

The past year has seen advances in our understanding of the mechanisms that control the expression of organ-specific autoimmunity. Attempts to develop therapeutic strategies for the prevention of autoimmune disease have largely been based on deviation of the T-cell response away from an autoaggressive, pro-inflammatory Th1 response. Manipulation of the cytokine environment at the site of antigen uptake or presentation, the source of endogenous antigen, costimulatory molecules or peptides processed and presented has yielded interesting results.
Can a Reduced Dimension Interface Model be More Computationally Effective than a Docking Algorithm

Actomyosin dynamics are central to elemental cellular processes, yet the precise molecular mechanisms by which actin and myosin transform ATP's chemical energy into mechanical work remain a mystery. Further advances in understanding the actomyosin machine require computational, molecular-level models of the structural dynamics of myosin and its actin complexes, which correlate multi-domain structural changes with force/movement measurements and biochemical kinetics, to serve as adjuncts to molecular-level experiments.Existing modeling approaches, e.g., molecular dynamics which provides atomic-scale simulations of crystal structures, statistical mechanics which provides molecule-size extrapolations of experimental results, lack either the computational speed or the structural resolution necessary to capture the details necessary to reveal critical dynamics of supramolecular assemblies like actomyosin. Novel modeling approaches using targeted coarse-graining of high-resolution crystal structures and interaction potential fields may offer unified, mechanically rigorous, yet computationally efficient method to model supramolecular assemblies, as well as to develop model adjuncts for experiments.While a core component in any such model is adequately depicting protein-protein binding-domain dynamics, key structural transitions cannot be defined by static crystal structures, as they involve dynamically disordered states. As a result, development of reasonable, inter-molecular potential functions requires estimations of protein-protein interactions, which could be and typically are obtained from docking algorithms like ZDOCK/RDOCK or AutoDock that, depending on the specific proteins, can be computationally expensive. In this work, the conjecture that a Reduced Dimension Interface Model (RDIM), which is constructed using multipole potential expansions, is sufficiently accurate, yet computationally more efficient_and perhaps even better suited for supramolecular assembly dynamics modeling_than standard docking algorithms. Here, the relative efficacy, merits and demerits of RDIMs for estimating protein-protein interactions examined in the context of two key binding domains, namely myosin:actin and G-actin:G-actin.
Efficacy of Endoscopic Sinus Surgery in the Management of Patients with Asthma and Chronic Sinusitis

An association between chronic sinusitis and asthma has been noted for many years, although the precise nature of the relationship is poorly understood. Earlier studies, using traditional surgical ...