Miracle-dz/UniFAR-FTUs huggingface dataset:
Molecular dynamics simulation of interactions between a nano water droplet and an isothermal platinum surface

This present work investigates the interactions between a nano-water droplet and an isothermal platinum surface based on molecular dynamics simulations. The droplet is initially at some nano distance from the surface. The interactions between two water molecules are treated by the well-known TIP4P potential model, while the platinum surface is modeled by one layer of harmonic molecules with phantom atoms right below to control the temperature. The interactions between water molecules and platinum atom are treated by the S-H model. The simulations demonstrate various different physical processes including: contact, spreading, thin film evaporation and dryout, nucleation of vapor condensation, and agglomeration of clusters to form a single droplet. Effect of temperature and the initial distance between the droplet and surface are also explored. The simulations illustrate that the spreading radius is approximately proportional to the square root of time and the surface diffusion coefficient increases with increase in temperature.
Platelet Physiology

Abstract Platelets are the smallest blood cells, numbering 150 to 350 × 109/L in healthy individuals. The ability of activated platelets to adhere to an injured vessel wall and form aggregates was first described in the 19th century. Besides their long-established roles in thrombosis and hemostasis, platelets are increasingly recognized as pivotal players in numerous other pathophysiological processes including inflammation and atherogenesis, antimicrobial host defense, and tumor growth and metastasis. Consequently, profound knowledge of platelet structure and function is becoming more important in research and in many fields of modern medicine. This review provides an overview of platelet physiology focusing particularly on the structure, granules, surface glycoproteins, and activation pathways of platelets.
Physical strain in the handling of gas cylinders.

Four male employees were studied in the laboratory and during their daily work, distributing gas cylinders. Occupational activities consisted of truck driving with frequent stops for loading, unloading and dragging gas cylinders. Maximal voluntary contraction (MVC) force at handgrip, shoulder elevation, shoulder flexion and shoulder extension was measured and found to exceed the strength of control groups. Average heart rate during occupational work was 99beats/min (range 83-110), corresponding to 35% (range 33-37%) of their maximal oxygen uptake during bicycle ergometry. Heart rates varied within wide limits with peaks frequently approaching maximal values during the heaviest tasks. Photographs were taken to show the position of the limbs and trunk during traction of cylinders weighing 34-76 kg across the ground, and the traction force exerted by the arm was measured with a dynamometer. The results were used for a biomechanical analysis of the load on the upper extremity during traction of gas cylinders.
Absorption of Rickettsia rickettsii antibodies by Rickettsia rickettsii antigens in four diagnostic tests

Immunoabsorption profiles were determined for Rickettsia rickettsii antigens used in four confirmatory tests for detection of antibodies to Rocky Mountain spotted fever. A human serum reactive in the four tests was absorbed with each test antigen and then reexamined by all four tests. The results indicated that the whole organism and complement-fixation antigen absorbed the whole array of antibodies to R. rickettsii, whereas erythrocyte-sensitizing substance coated on latex or erythrocytes did not. With erythrocyte-sensitizing substance coated on latex there was a decrease in titer when tested by the latex, indirect hemagglutination, and complement fixation tests but none when tested by the microimmunofluorescence test. With erythrocyte-sensitizing substance coated on sheep erythrocytes there was a decrease in titer when tested by indirect hemagglutination or complement fixation but none when tested by latex or microimmunofluorescence. These findings confirm that erythrocyte-sensitizing substance contains more than a single antigenic substance and plays a major role in the complement fixation test and a minor role in the microimmunofluorescence test.
New Subcarrier Allocation for Uplink-OFDMA under Time-Varying Channels

Inter-carrier interference (ICI) and multiuser interference (MUI) occur in an uplink orthogonal frequency division multiple access system if a channel between a mobile user and a base station is rapidly time-varying. To reduce the ICI and MUI, this letter proposes a subcarrier allocation method. The key idea is to allocate a high-speed user's subcarrier near a low-speed user's one. Then, a wide Doppler spread of a high-speed user can be spilled over a low-speed user's subcarrier band with insignificant influence, and the signal-to-interference-plus-noise ratio (SINR) at each high-speed user's subcarrier can be maximized. This can provide a significant performance improvement of multiuser detection in an uplink-OFDMA.
High Frequency Characterization and Modeling of VLSI On-Chip Interconnects

| Modeling of on-chip inductance for chips with realistic power/ground wires and grids is presented. Analytical formulae as well as eld solvers are used to analyze inductance of on-chip structures including power/ground grids, ground plane and substrate e ects. Insights and design guidelines to reduce wire inductance are demonstrated. An accurate capacitance modeling approach is also presented.
Ligand-receptor interactions

The formation and dissociation of specific noncovalent interactions between a variety of macromolecules play a crucial role in the function of biological systems. During the last few years, three main lines of research led to a dramatic improvement of our understanding of these important phenomena. First, a combination of genetic engineering and x-ray crystallography made available a simultaneous knowledge of the precise structure and affinity of series or related ligand-receptor systems differing by a few well-defined atoms. Second, improvement of computer power and simulation techniques allowed an extended exploration of the interaction of realistic macromolecules. Third, simultaneous development of a variety of techniques based on atomic force microscopy, hydrodynamic flow, biomembrane probes, optical tweezers, magnetic fields or flexible transducers yielded direct experimental information of the behaviour of single ligand-receptor bonds. At the same time, investigation of well-defined cellular models raised the interest of biologists to the kinetic and mechanical properties of cell membrane receptors. The aim of this review is to give a description of these advances that have benefited from a largely multidisciplinary approach.
Use of Infrared Thermography in Early Diagnosis of Pathologies in Asian Elephants (Elephas maximus)

ABST RACT Thermography is an imaging technique using a specialized heat sensitive infrared camera, mapping body surface temperature changes which may indicate inflammatory, vascular or neurological disorders. Thermal images were collected over three months from four Asian elephants at the Tisch Family Zoological Gardens in Jerusalem in which 935 body regions were identified with possible inflammatory pathologies. Suspected thermal areas were divided into three groups according to the appearance of inflammatory processes in a clinical examination: negative, positive and a pre-inflammatory group, which showed a thermal change while imaging, with clinical signs appearing only later on. An analysis of the documented regions it was found that in areas with a clinical signs delta temperatures were significantly higher compared to areas with no clinical signs. It was also found that pre-clinical areas showed a significantly higher temperature compared with that of the clinical and non-clinical areas. Receiver operating characteristic (ROC) test results showed an area under curve (AUC) of 0.91 with sensitivity values of 89.2% and a specificity of 83.4%. In addition, positive predictive value and negative predictive value received were: NPPV = 99.4%, PPV = 19.3%. It was concluded that thermography can be an effective diagnostic tool for early diagnosis of inflammatory processes and useful for regular and continuous monitoring of zoo elephants in general. Early detection of inflammatory processes using this technique makes it possible to prevent unnecessary stress that often accompanies veterinary examinations and to accelerate recovery.
Thermodynamics of adaptive molecular resolution

A relatively general thermodynamic formalism for adaptive molecular resolution (AMR) is presented. The description is based on the approximation of local thermodynamic equilibrium and considers the alchemic parameter λ as the conjugate variable of the potential energy difference between the atomistic and coarse-grained model Φ=U(1)−U(0). The thermodynamic formalism recovers the relations obtained from statistical mechanics of H-AdResS (Español et al., J. Chem. Phys. 142, 064115, 2015 (doi:10.1063/1.4907006)) and provides relations between the free energy compensation and thermodynamic potentials. Inspired by this thermodynamic analogy, several generalizations of AMR are proposed, such as the exploration of new Maxwell relations and how to treat λ and Φ as ‘real’ thermodynamic variables. This article is part of the themed issue ‘Multiscale modelling at the physics–chemistry–biology interface’.
Anticariogenicity of Calcium Phosphate Complexes of Tryptic Casein Phosphopeptides in the Rat

Casein phosphopeptides (CPP) stabilize calcium phosphate through the formation of casein-phosphopeptide amorphous calcium-phosphate complexes (CPP-CP). The ability of CPP-CP to reduce caries activity was investigated by use of specific-pathogen-free rats inoculated with Streptococcus sobrinus. The animals consumed a defined cariogenic diet free of dairy products. Solutions (100 pL) of the CPP-CP (0.1, 0.2, 0.5, 1.0% w/v) were applied to the animals' molar teeth twice daily. Other groups of animals received solutions containing 500 ppm F, the non-phosphorylated peptides of a casein tryptic digest (0.5% w/v), or the calcium-phosphate complex of a synthetic octapeptide, Ac-Glu-Ser(P)-Ile-Ser(P)-Ser(P)-Ser(P)-Glu-Glu-NHMe, corresponding to the common sequence in the CPP. The CPP-CP significantly reduced caries activity in a dose-response fashion, with 1.0% CPP-CP producing 55% and 46% reductions in smooth surface and fissure caries activity, respectively, being similar to that of 500 ppm F. The anticariogenic effects of CPP-CP and fluoride were additive, since animals receiving 0.5% CPP-CP plus 500 ppm F had significantly lower caries activity than those animals receiving either CPP-CP or fluoride alone. The tryptic digest of casein with the phosphopeptides selectively removed showed no anticariogenic activity. The synthetic octapeptide-calcium phosphate complex significantly reduced caries activity, confirming that this calcium-phosphate-stabilizing portion of the casein phospho-peptides is associated with anticariogenicity. The CPP-CP did not significantly affect the level of S. sobrinus in fissure plaque. The proposed mechanism of anticariogenicity for CPP-CP complexes is that they substantially increase the level of calcium phosphate in plaque, depressing enamel demineralization and enhancing remineralization.
In vivo measurement of human body composition by dual-energy X-ray absorptiometry (DXA).

OBJECTIVE To evaluate measurements of human body composition using dual energy X-ray absorptiometry and to assess its precision and variations within and between observers as well as the influence of food and fluid intake. DESIGN Experimental study. SETTING District hospital, Denmark. SUBJECTS 17 volunteers, 12 male and 5 female. INTERVENTIONS Repeated scans under standard conditions. MAIN OUTCOME MEASURES Precision, variations within and between observers, and influence of the degree of hydration. RESULTS The repeatability coefficients and the coefficients of variation (CV) were obtained for the four body compartments: tissue mass 416 g (CV 0.2%); fat mass 1117 g (CV 2.6%); lean tissue mass 1425 g (CV 0.9%), and total bone mineral content, (BMC) 109 g (CV 1.2%). There was no significant intraobserver variation. There was little interobserver variation in assessing tissue mass and BMC, but there were significant differences when judging fat and lean tissue mass. Drinking resulted in significantly increased values for tissue and lean tissue mass, which corresponded to the intake. CONCLUSION DXA is precise and reproducible with little variation within and between observers. It might be useful in clinical studies.
Imaging in-plane and normal stresses near an interface crack using traction force microscopy

Colloidal coatings, such as paint, are all around us. However, we know little about the mechanics of the film-forming process because the composition and properties of drying coatings vary dramatically in space and time. To surmount this challenge, we extend traction force microscopy to quantify the spatial distribution of all three components of the stress at the interface of two materials. We apply this approach to image stress near the tip of a propagating interface crack in a drying colloidal coating and extract the stress intensity factor.
Leaky and bound modes of surface plasmon waveguides

While theoretical studies of finite width plasmonic waveguides have focused on the bound modal solutions of metallic structures in homogeneous or near-homogeneous dielectric matrices, experimental studies have mainly probed the leaky surface plasmon modes along the air-exposed surfaces of metallic stripes on glass substrates. Combining a full-vectorial, magnetic field finite-difference method with complex coordinate stretching perfectly matched layer boundary conditions, we have solved for both the leaky and bound modes of metallic slab and stripe waveguides. Solutions for the leaky modes excited via attenuated total reflection in the Kretschmann configuration provide added insight into the results of recent near and far-field experimental studies. For these cases, an analytical approximation for the number of allowed modes as a function of waveguide width is derived based upon the guidance condition of dielectric waveguide theory. Then, consistent with a ray optics interpretation for surface plasmon-polariton propagation, a direct comparison is made between our simulations and published results with regard to field profiles and propagation lengths.
Rational approximations to algebraic Laurent series with coefficients in a finite field

In this paper we give a general upper bound for the irrationality exponent of algebraic Laurent series with coefficients in a finite field. Our proof is based on a method introduced in a different framework by Adamczewski and Cassaigne. It makes use of automata theory and, in our context, of a classical theorem due to Christol. We then introduce a new approach which allows us to strongly improve this general bound in many cases. As an illustration, we give few examples of algebraic Laurent series for which we are able to compute the exact value of the irrationality exponent.
Epigenetic Regulation Affects N-myc Downstream-Regulated Gene 1 Expression Indirectly in Pancreatic Cancer Cells

Objectives: N-myc downstream-regulated gene 1 (NDRG1), important in tumor growth and metastasis, has recently gained interest as a potential therapeutic target. Loss of NDRG1 expression is generally associated with poor clinical outcome in pancreatic cancer (PaCa) patients. As the NDRG1 gene possesses a large promoter CpG island, we sought to determine whether its repression is epigenetically mediated in PaCa cells. Methods: Pancreatic cancer cells were treated with the DNA methyltransferase inhibitor 5-aza-2&vprime;-deoxycytidine and the histone deacetylase inhibitor trichostatin A. Promoter methylation was assessed by genomic bisulfite sequencing and by combined bisulfite restriction analyses. Results: Treatment with 5-aza-2&vprime;-deoxycytidine and trichostatin A enhanced NDRG1 protein expression, implicating epigenetic regulation of NDRG1. However, there was no significant DNA methylation of the NDRG1 promoter CpG island, as determined by genomic bisulfite sequencing of HPAF-II cells. We further confirmed the lack of promoter methylation in 6 PaCa cell lines by combined bisulfite restriction analyses. Conclusions: These findings indicate that NDRG1 gene reactivation in PaCa cell lines by pharmacologic reversal of DNA methylation and histone deacetylation occurs via an indirect mechanism. This may occur via the altered expression of genes involved in the regulation of NDRG1 transcription or NDRG1 protein stability in PaCa cells.
Identification and Quantification of S-Nitrosylation by Cysteine Reactive Tandem Mass Tag Switch Assay*

Redox-switches are critical cysteine thiols that are modified in response to changes in the cell's environment conferring a functional effect. S-nitrosylation (SNO) is emerging as an important modulator of these regulatory switches; however, much remains unknown about the nature of these specific cysteine residues and how oxidative signals are interpreted. Because of their labile nature, SNO-modifications are routinely detected using the biotin switch assay. Here, a new isotope coded cysteine thiol-reactive multiplex reagent, cysTMT6, is used in place of biotin, for the specific detection of SNO-modifications and determination of individual protein thiol-reactivity. S-nitrosylation was measured in human pulmonary arterial endothelia cells in vitro and in vivo using the cysTMT6 quantitative switch assay coupled with mass spectrometry. Cell lysates were treated with S-nitrosoglutathione and used to identify 220 SNO-modified cysteines on 179 proteins. Using this approach it was possible to discriminate potential artifacts including instances of reduced protein disulfide bonds (6) and S-glutathionylation (5) as well as diminished ambiguity in site assignment. Quantitative analysis over a range of NO-donor concentrations (2, 10, 20 μm; GSNO) revealed a continuum of reactivity to SNO-modification. Cysteine response was validated in living cells, demonstrating a greater number of less sensitive cysteine residues are modified with increasing oxidative stimuli. Of note, the majority of available cysteines were found to be unmodified in the current treatment suggesting significant additional capacity for oxidative modifications. These results indicate a possible mechanism for the cell to gauge the magnitude of oxidative stimuli through the progressive and specific accumulation of modified redox-switches.
Nonalcoholic fatty liver disease: Cytokine-adipokine interplay and regulation of insulin resistance.

Nonalcoholic fatty liver disease (NAFLD), the major reason for abnormal liver function in the Western world, is associated with obesity and diabetes and is characterized by insulin resistance (IR). IR is regulated by mediators released from cells of the immune system or adipocytes and proinflammatory cytokines such as tumor necrosis factor-α (TNFα). The importance of TNFα in human and animal fatty liver diseases, both caused by genetic manipulation and overnutrition, has been shown convincingly. Furthermore, neutralization of TNFα activity improves IR and fatty liver disease in animals. Adiponectin is a potent TNFα-neutralizing and anti-inflammatory adipokine and in vitro and experimental animal studies have proven the importance of this mediator in counteracting inflammation and IR. Anti-inflammatory effects of adiponectin are exerted both by suppressing TNFα synthesis and by induction of anti-inflammatory cytokines such as interleukin-10 or interleukin-1–receptor antagonist. Therefore, the balance between various mediators, either derived from the immune system or adipose tissue, appears to play an important role in hepatic and systemic insulin action and in the development of fatty liver disease.
Slug Is a Novel Downstream Target of MyoD

Temporal expression profiling was utilized to define transcriptional regulatory pathways in vivo in a mouse muscle regeneration model. Potential downstream targets of MyoD were identified by temporal expression, promoter data base mining, and gel shift assays; Slug and calpain 6 were identified as novel MyoD targets. Slug, a member of the snail/slug family of zinc finger transcriptional repressors critical for mesoderm/ectoderm development, was further shown to be a downstream target by using promoter/reporter constructs and demonstration of defective muscle regeneration in Slug null mice.
Prevention and treatment of cardiac arrest.

There is nothing more catastrophic from the standpoint of the family, the surgeon, the anesthetist, and all other persons involved than a sudden unexpected death in the operating room. This is especially true if the patient is a healthy person who is undergoing some relatively minor elective operative procedure. This catastrophe occurs so infrequently in each hospital that the experience of any one surgeon or anesthetist in dealing with the problem may be small. For this reason, it is perhaps worth while to stress again the important points in its prevention and treatment. When the circulation of the blood to the brain stops, it must be started again within approximately four minutes if the patient is to survive. This time limit is of the greatest importance. Experience has shown that, in the presence of this emergency, virtually no surgeon or anesthetist is able to act quickly enough unless he has
Toxicity and Outcome of Intensity-Modulated Radiotherapy versus 3-Dimensional Conformal Radiotherapy for Oropharyngeal Cancer: A Matched-Pair Analysis

Because of the scarcity of randomized trials comparing toxicity and outcomes of intensity-modulated radiotherapy (IMRT) for oropharyngeal cancer (OPC) with 3D-conformal radiotherapy (3DCRT), we performed a matched-pair analysis from prospectively collected data from the Head and Neck Tumor Registry of our institution. In the absence of phase III trials, we believe this approach provides the highest quality data possible. Ninety-two patients treated with 3DCRT were matched (1:1) to 92 patients treated with IMRT for 9 potential predictive factors for toxicity and outcome: gender, age, T-stage, N-stage, tumor subsite, unilateral neck irradiation, chemotherapy, neck dissection and boost technique. Groups were compared for acute and late toxicity, locoregional control (LRC), disease-free survival (DFS), and overall survival (OS). Oncologic outcomes were estimated using Kaplan-Meier analyses and toxicity was analyzed according to Common Terminology Criteria for Adverse Events v3.0. The overall incidence of grade 3 acute toxicity was significantly reduced by IMRT, compared to 3DCRT (45% vs. 70%, p = 0.001). The need for tube feeding was reduced from 50% to 37% (p = 0.04). The 3-year actuarial incidence of grade ≥2 late toxicity was also significantly reduced by IMRT, compared to 3DCRT (20% vs. 45%, respectively; p < 0.0001). The incidence of grade ≥2 late dysphagia and xerostomia for IMRT vs. 3DCRT were 10% vs. 31% for dysphagia, p = 0.004 and 13% vs. 37%, for xerostomia, respectively (p = 0.001). The 3-year Kaplan-Meier estimates of LRC, DFS, and OS for IMRT vs. 3DCRT were 90% vs. 82% (p = 0.1), 82% vs. 76% (p = 0.3), and 72% vs. 64% (p = 0.2), respectively. In conclusion, the presented nonrandomized comparative study of well-matched groups demonstrates the superiority of IMRT vs. 3DCRT for OPC by significantly reducing radiation-induced toxicity without jeopardizing outcomes. The improved therapeutic ratio achieved by the use of IMRT would allow dose escalation of radiotherapy to further improve outcomes of patients with OPC.