Miracle-dz/UniFAR-FTUs huggingface dataset:
Anticorrelated motions as a driving force in enzyme catalysis: the dehydrogenase reaction.

Molecular dynamics and cross-correlation analysis of the horse liver alcohol dehydrogenase HLADH.NAD(+). PhCH(2)O(-) complex has established anticorrelated motions between the NAD(+)-binding domain and other portions of the enzyme. Four pairs of anticorrelated interactions are (i and ii) cofactor-binding domain: C(alpha) of V292 and the CG1 of V203 with C7 of PhCH(2)O(-); (iii) cofactor-binding domain: amide carbonyl oxygen of I318 with amide N of H67; and (iv) cofactor domain: C(alpha) of T178 with carbonyl oxygen of L141. The average distances between pairs are 9.2 A for i, 8.2 A for ii, 14.7 A for iii, and 18.2 A for iv. The motions of i and ii are most important in the approximately 0.5 A pushing of C4 of NAD(+) toward C7 of PhCH(2)O(-) to form push near-attack conformer (NACs). The motions of iv are less so, and those of iii are not important. Seventy-five quantum mechanics/molecular mechanics calculations of the energies of reaction were carried out without structural restrictions from different stages of the molecular dynamics trajectory. Of the 71 conformations, the 29 fulfilling NAC criteria were associated with the lowest energies of activation. Thus, anticorrelated motions from the NAD(+)-binding domain by way of the neighboring V292 and V203 have a pushing motion, which moves the C4 of NAD(+) toward the H-C7 of the substrate. Longer-range anticorrelated motions involving the cofactor-binding domain have no or very little influence on NAC formation.
Neural network identification and control for nonlinear dynamic systems with time delay

In this study, a generalized procedure in identification and control of a class of time-varying-delayed nonlinear dynamic systems is developed. Under the framework, recurrent neural network is developed to accommodate the on-line identification, which the weights of the neural network are iteratively and adaptively updated through the model errors. Then indirect adaptive controller is designed based on the adaptive law of the controller, which the adaptive law of the controller is designed for the controller design. It should be noticed that including implicit control variable in design is more challenging, but more generic in theory and practical in applications. To guarantee the correctness, rigorousness, generality of the developed results, Lyapunov stability theory is referred to prove the neural network model identification and the designed closed-loop control systems uniformly ultimately bounded stable. A bench mark test is simulated to demonstrate the effectiveness and efficiency of the procedure.
Human osteoclasts derive from CD14‐positive monocytes

Osteoclasts have been defined as calcitonin (CT) and vitronectin (VN) receptor (R) positive, and CD14‐, CD11b‐ and CD11c‐negative cells which resorb bone. The aim of this study was to identify the phenotype of the osteoclast precursor. Osteoclasts were generated by co‐culturing peripheral blood mononuclear cells (PBMNCS) with the rat osteoblastic UMR 106 cell line. On days 2–4 at least 80% of CTR‐positive cells co‐expressed CD14, CD11b and CD11c (monocyte markers), but by day 14 < 3.3% expressed these markers. Selection of CD14‐positive monocytes from PBMNCS enhanced osteoclastic bone resorption 2–4‐fold compared to unfractionated PBMNCS.
Insurance Status of U.S. Organ Donors and Transplant Recipients: The Uninsured Give, but Rarely Receive

Organ transplantation is an expensive, life-saving technology. Previous studies have found that few transplant recipients in the United States lack health insurance (in part because patients may become eligible for special coverage because of their disability and transplant teams vigorously advocate for their patients). Few data are available on the insurance status of U.S. organ donors. The authors analyzed the 2003 National Inpatient Sample (NIS), a nationally representative 20 percent sample of U.S. hospital stays, and identified incident organ donors and recipients using ICD-9-CM diagnosis and procedure codes. The NIS sample included 1,447 organ donors and 4,962 transplant recipients, equivalent after weighting to 6,517 donors and 23,656 recipients nationwide; 16.9 percent of organ donors but only 0.8 percent of transplant recipients were uninsured. In multivariate analysis, compared with other inpatients organ donors were much more likely to be uninsured (OR 3.41, 95% CI 2.81–4.15), whereas transplant recipients were less likely to lack coverage (OR 0.08, 95% CI 0.06–0.12). Many uninsured Americans donate organs, but they rarely receive them.
Quantification of increased exposure resulting from orbital rim and orbitozygomatic osteotomy via the frontotemporal transsylvian approach.

OBJECT Use of orbital rim and orbitozygomatic osteotomy has been extensively reported to increase exposure in neurosurgical procedures. However, there have been few attempts to quantify the extent of additional exposure gained by these maneuvers. Using a novel laboratory technique, the authors have attempted to measure the increase in the "area of exposure" that is gained by removal of the orbital rim and zygomatic arch via the frontotemporal transsylvian approach. METHODS The authors dissected five cadavers bilaterally. The area of exposure provided by the frontotemporal transsylvian approach was determined by using a frameless stereotactic device. With the tip of a microdissector placed on targets deep within the exposure, the position of the end of the microdissector handle was measured in three-dimensional space as the microdissector was rotated around the periphery of the operative field. This maneuver was performed via the frontotemporal approach alone as well as with orbital rim and orbitozygomatic osteotomy approaches. After data manipulation, the areas of exposure corresponding to the polygons used to define these handle positions were calculated and directly compared. On average, the area of exposure provided by the frontotemporal transsylvian approach was increased 26 to 39% (p<0.05) by adding orbital rim osteotomy and an additional 13 to 22% (not significant) with removal of the zygomatic arch. CONCLUSIONS Significant and consistent increases in surgical exposure were obtained by using orbital osteotomy, whereas zygomatic arch removal produced less consistent gains. Both maneuvers may be expected to improve surgical access. However, because larger and more consistent gains were afforded by orbital rim removal, the threshold for removal of this portion of the orbitozygomatic complex should be lower.
International Trade and Food Safety: Economic Theory and Case Studies

Food safety regulations and the perception of risk are different among countries. This can lead to persistent trade frictions and even reduce food trade. These differences may also lead to increased dialogue between countries, with improved food safety systems the result. Although little disruption to trade has occurred for food safety reasons (considering the total volume of food trade), trade issues or crises related to food safety are wide ranging. These issues and crises challenge policymakers and industries to both protect domestic food supplies and nurture international markets. Meanwhile, consumers in developed countries are demanding safer food. Risk reduction measures and quality certification programs can not only pre-empt food safety crises, but can better position exporters in emerging overseas markets. However, coherency between trade and food safety goals requires public intervention and investment and/or private costs.
Hospital diagnoses, Medicare charges, and nursing home admissions in the year when older persons become severely disabled.

OBJECTIVE To characterize hospital diagnoses, procedures and charges, and nursing home admissions in the year when older persons become severely disabled, comparing those in whom severe disability develops rapidly with those in whom disability develops gradually. DESIGN A prospective, population-based cohort study with at least 6 annual interviews beginning in 1982. SETTING A total of 3 communities: East Boston, Mass, New Haven, Conn, and Iowa and Washington counties in Iowa. SUBJECTS A total of 6070 persons at least 70 years old with at least 1 interview after the fourth annual follow-up and without evidence of previous severe disability, defined as disability in 3 or more activities of daily living (ADLs). MAIN OUTCOME MEASURES Characteristics associated with development of severe disability after the fourth annual follow-up, in which the disability is classified as catastrophic disability if the individual did not report any ADL disability in the 2 interviews prior to severe disability onset or as progressive disability if the individual had previous disability in 1 or 2 ADLs. RESULTS In the year during which severe disability developed, hospitalizations were documented for 72.1% of those developing catastrophic disability and for 48.6% of those developing progressive disability. In the corresponding year, only 14.7% of those who were stable with no disability and 22.3% of those with some disability were hospitalized. The 6 most frequent principal discharge diagnoses included stroke, hip fracture, congestive heart failure, and pneumonia in both severe disability subsets; coronary heart disease and cancer in catastrophic disability; and diabetes and dehydration in progressive disability. These diagnoses occurred in 49% of those with catastrophic disability and 25% of those with progressive disability. In both severe disability subsets, the oldest patients received less intensive hospital care as indicated by charges for surgery, diagnostics, and rehabilitation and by the percentage who received major diagnostic procedures; they were also more often admitted to nursing homes. CONCLUSIONS In the year when they become severely disabled, a large proportion of older persons are hospitalized for a small group of diseases. Hospital-based interventions aimed at reducing the severity and functional consequences of these diseases could have a large impact on reduction of severe disability.
Migración Como Aprendizaje Social: Diseño E Implementación De Un Proyecto De Ecoturismo En La Costa De Chiapas

En el presente trabajo se trata de una investigacion exploratoria y cualitativa, que analiza el impacto que ha tenido la migracion en el desarrollo de un proyecto productivo, tomando como base el emprendimiento a partir del aprendizaje social de migrantes en Ponte Duro. Se entrevistaron a 221 personas de la region, de los cuales 17 conformaron los sujetos que integraban el centro ecoturismo El Madresal y de quienes se tomaron los datos recolectados de este estudio. La migracion individual ha apoyado un proceso de cambio colectivo y como la experiencia migratoria ha fortalecido el liderazgo de un grupo de personas –en general con lazos familiares entre si-, lo que ha propiciado un proceso de aprendizaje social con el que se refuerza la creacion de la Cooperativa de Ecoturismo El Madresal. Desde el 2012, el trabajo ha sido guiado por exmigrantes desde su fundacion, los cooperativistas han vivido periodos de cambio y de continuidad en la organizacion del trabajo, ya que mientras mantienen la organizacion cooperativa en la propiedad y gestion, las reglas y organizacion del trabajo fortalecen el cambio de mentalidad de pescadores y amas de casa a empresarios del turismo con todas las actividades y especialidades que derivan del mismo, a traves de la promocion de un aprendizaje colectivo que les esta ayudando a adaptar sus identidades de pescadores a empresarios en el sector turistico de su comunidad.
Persistent Neoliberalisation in PES: Taxes, Tariffs, and the World Bank in Costa Rica

Recent critiques of 'payments for ecosystem services' (PES) and other market-based instruments for environmental conservation have noted that such mechanisms rarely (if ever) operate according to idealised market rules. The characterisation of PES as a form of 'neoliberal conservation', therefore, has been questioned and even deemed to be misguided. While close examination of local context and micropolitics often reveals a nuanced view of contested and hybrid implementation, similar analysis can also reveal the way that officials continue to steer programs towards market ideals. In this paper, I consider the case of Costa Rica's national Pagos por Servicios Ambientales (PSA) program, to suggest that–in spite of its imperfect correspondence to an idealised neoliberal model–it is undergoing a continual process of neoliberalisation. I explore, in particular, the evolution of PSA financing, which has shifted (under the influence of two World Bank projects) towards direct financialised transactions between 'users' and 'providers' of ecosystem services. The paper provides a historical account of the complex (and sometimes contradictory) processes that have produced the program's current hybrid neoliberal form. It explores World Bank / Costa Rica relations and market-oriented interventions to the financing of ecosystem service payments, and it explains that (despite inherent contradictions inhibiting market formation) neoliberal actors within the state can still implement mechanisms designed to approximate markets.
Novel method for real-time hybrid cardiac CT and coronary angiography image registration: visualising beyond luminology, proof-of-concept.

AIMS During coronary angiography and percutaneous coronary interventions (PCI) only the lumen of the coronary vessel is imaged. The complete pathology of the vessel wall--namely the extent of calcification, structure of non-calcified plaque and lesion length--cannot be accurately determined. These can be imaged using coronary CT angiography (CTCA). We aimed to investigate the accuracy, feasibility, safety and value of a novel hybrid method encapsulating real-time registration of CTCA to coronary angiography images. The method is designed to seamlessly integrate into the routine catheterisation procedures and provide information to assist in decision making during the interventional procedure. METHODS AND RESULTS Phantoms simulating the coronary tree were used to test the accuracy and potential of co-registration of information. Precision of the imaging system was tested using radio-opaque markers and distance between bifurcations. We included patients who underwent CTCA and also underwent cardiac catheterisation. Analysis and feasibility was performed offline in the first twenty patients and online in the following 19 patients. The online CTCA and angiography co-registration was performed by the AngioCt software program. The registration result was displayed on a separate screen in the catheterisation laboratory as a three-dimensional coronary tree and a curved multi-planar reformat (MPR) view. Preclinical validation showed that the co-registration of the coronary tree is feasible, and measurements of length and diameter are precise for all standard working angulations during coronary angiography. Real-time registration was successful in all cases and aided in selection of the view that will provide the least foreshortening and no vessel overlapping, the length of balloons and stent to use and assisted in crossing chronic total occlusions (CTO). CONCLUSIONS This is the first report of a novel method for online real-time hybrid CTCA and angiography registration. In this pilot study we found that this method is feasible, accurate, and easy to use. It can be used for selecting the best working angulations for minimising foreshortening and vessel overlapping, determining stent size and location, and providing a reference vessel path and structure in cases of CTO.
Generation of antibody diversity in the immune response of BALB/c mice to influenza virus hemagglutinin.

We have examined the amino-terminal sequence of the kappa light chains of a set of monoclonal antibodies specific for one of the major antigenic determinants (Sb) on the influenza virus PR8[A/PR/8/34(H1N1)] hemagglutinin molecule. This set was believed to be structurally related from earlier serological analysis that typed these kappa chains as members of the variable (V) region V kappa 21 group [ Staudt , L. M. & Gerhard , W. (1983) J. Exp. Med. 157, 678-704]. Our sequence analysis confirms and extends this conclusion; all examples of this set belong to a subgroup of the V kappa 21 group, V kappa 21C . A special feature of this set of kappa light chains is that all examples were derived from the same mouse (designated H36 ). This sequence analysis along with the characterization of gene rearrangements at the kappa light chain loci of these hybridomas is consistent with the idea that certain members of this set are the progeny of one or two lymphocytes. Because of this potential clonal relationship, we can reach several conclusions about the diversity observed among these kappa light chains: (i) the diversity is due to somatic mutation, (ii) somatic mutations occur sequentially and accumulate in the first complementarity-determining region, and (iii) the extent of somatic variation in this sample is high, suggesting a somatic mutation rate of about 10(-3) per base pair per generation.
HtrA Heat Shock Protease Interacts with Phospholipid Membranes and Undergoes Conformational Changes*

The HtrA (DegP) protein of Escherichia coli is a heat shock serine protease, essential for cell survival only at temperatures above 42°C. It has been shown by genetic experiments that HtrA is an envelope protease, functioning in the periplasmic space. To clarify the cellular localization of HtrA, E. coli cells were fractionated, and HtrA was not detected by the immunoblotting technique in the periplasm or in the fraction of soluble proteins but was found in the inner membrane. The protein could be partially eluted from the total membrane fraction by a high ionic strength solution, whereas solutions affecting protein conformation released HtrA almost completely. These results, taken together with the evidence showing that HtrA functions in the periplasm, indicate that HtrA is a peripheral membrane protein, localized on the periplasmic side of the inner membrane. As the first step toward solving the problem of HtrA-membrane interactions, the structure of HtrA in the presence of phosphatidylglycerol (PG), phosphatidylethanolamine (PE), or cardiolipin (CL) was analyzed by fluorescence and Fourier-transform infrared spectroscopy. The infrared and fluorescence data indicated an interaction of HtrA with PG and CL but not with PE suspensions. Fluorescence spectroscopy revealed that this interaction was at the level of the polar head group of the phospholipid. In the PG/HtrA system, small changes were observed in the HtrA secondary structure and a remarkable decrease of the thermal stability of the protein, which suggested changes in HtrA tertiary structure. This suggestion was supported by fluorescence data that showed a shift of the fluorescence emission spectrum of HtrA tyrosine residues in the presence of PG and a reduced fluorescence intensity, phenomena not observed in the presence of PE or CL suspensions. Infrared data revealed also that the interaction of HtrA with PG leads to a protection of unfolded protein against aggregation at relatively low temperatures. The conformational changes of HtrA in the presence of PG influenced the proteolytic activity of HtrA by increasing it at the temperatures 37–45°C and inhibiting it at 50–55°C. CL inhibited HtrA activity at all of the temperatures tested.
Stress memorization technique (SMT) by selectively strained-nitride capping for sub-65nm high-performance strained-Si device application

An advanced stress memorization technique (SMT) for device performance enhancement is presented. A high-tensile nitride layer is selectively deposited on the n+ poly-Si gate electrode as a stressor with poly amorphorization implantation in advance. And, this high-tensile nitride capping layer will be removed after the poly and S/D activation procedures. The stress modulation effect was found to be enhanced and memorized to affect the channel stress underneath the re-crystallized poly-Si gate electrode after this nitride layer removal. More than 15% current drivability improvement was obtained on NMOS without any cost of PMOS degradation. Combining the high tensile nitride sealing layer deposition after silicide process. it was found to gain additional /spl sim/10% improvement to NMOS. The device integrity and reliability were verified with no deterioration by this simple and compatible SMT process. which is a promising local strain approach for sub-65nm CMOS application.
Stimulation of Proteoglycan Synthesis in Explants of Porcine Articular Cartilage by Recombinant Osteogenic Protein-1 (Bone Morphogenetic Protein-7)*

Osteogenic protein-1 (also known as bone morphogenetic protein-7) is a member of the bone morphogenetic protein family. Bone morphogenetic proteins and related members of the TGF-&bgr; (transforming growth factor-&bgr;) superfamily are involved in the development and repair of bone. Recombinant bone morphogenetic proteins induce the formation of new cartilage and bone at heterotopic sites. We investigated the influence of recombinant osteogenic protein-1 (at doses of three, ten, thirty, or 100 nanograms per milliliter) on the synthesis and release of proteoglycans and the maintenance of a steady-state concentration of proteoglycans in explants of porcine articular cartilage that were maintained in chemically defined serum-free medium. We found a dose-dependent stimulation of proteoglycan synthesis and a concurrent decrease in the rate of release of proteoglycans from the explants. The size of the proteoglycan monomers and the composition of the glycosaminoglycan chains in the untreated articular cartilage were similar to those in the articular cartilage treated with osteogenic protein-1. The capacity of the newly synthesized proteoglycan monomers to form aggregates with exogenous hyaluronic acid was found to be similar to that of proteoglycans in bovine nasal cartilage. Our results demonstrated that osteogenic protein-1 stimulated the synthesis of proteoglycans and diminished the release of proteoglycans from explants of porcine articular cartilage. CLINICAL RELEVANCE: The maintenance and repair of articular cartilage is a formidable challenge in clinical orthopaedics. The stimulation of proteoglycan synthesis by osteogenic protein-1 (bone morphogenetic protein-7) in explants of cartilage maintained in chemically defined serum-free medium implies that recombinant osteogenic protein-1 may play a role in the maintenance of a steady-state concentration of proteoglycans in articular cartilage, a desirable prerequisite for optimum repair of cartilage. Osteogenic protein-1 can initiate the formation of cartilage from mesenchymal cells. Once new cartilage has formed at the site of repair, osteogenic protein-1 also may maintain the synthesis of proteoglycans.