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PubMed1999

Calculating shielding requirements in diagnostic X-ray departments.

Structural radiation protection for diagnostic X-ray facilities is most commonly performed following the recommendations of the National Council on Radiation Protection and Measurements Report No. 49. A number of analytical methods have already been developed to improve the design of these facilities. Specifically, these methods reassess shielding calculations in X-ray areas with respect to the methodology of the calculation of the barrier thickness and the number of sources considered in the area. Thus, they generate an overall solution for the cases met at the medical radiation structural design. This paper presents an extension of an existing method for calculating shielding requirements, for multiple X-ray tubes in a room operated at various beam qualities. The methodology computes the required shielding thickness such that the exposure behind it stays below a desired value. The presented method eliminates the overestimation of added shielding thickness which may occur using the other methods already mentioned. A user-friendly windows-based program has also been developed to assist shielding computations.

Algorithms↗
PubMed2001

Theoretical, experimental, and computational aspects of optical property determination of turbid media by using frequency-domain laser infrared photothermal radiometry.

In this work, the optical and thermal properties of tissuelike materials are measured by using frequency-domain infrared photothermal radiometry. This technique is better suited for quantitative multiparameter optical measurements than the widely used pulsed-laser photothermal radiometry (PPTR) because of the availability of two independent signal channels, amplitude and phase, and the superior signal-to-noise ratio provided by synchronous lock-in detection. A rigorous three-dimensional (3-D) thermal-wave formulation with a 3-D diffuse and coherent photon-density-wave source is applied to data from model phantoms. The combined theoretical, experimental, and computational methodology shows good promise with regard to its analytical ability to measure optical properties of turbid media uniquely, as compared with PPTR, which exhibits uniqueness problems. From data sets obtained by using calibrated test phantoms, the reduced optical scattering and absorption coefficients were found to be within 20% and 10%, respectively, of the values independently derived by using Mie theory and spectrophotometric measurements.

Journal Article↗
PubMed2024

Structural modelling and preventive strategy targeting of WSSV hub proteins to combat viral infection in shrimp Penaeus monodon.

White spot syndrome virus (WSSV) presents a considerable peril to the aquaculture sector, leading to notable financial consequences on a global scale. Previous studies have identified hub proteins, including WSSV051 and WSSV517, as essential binding elements in the protein interaction network of WSSV. This work further investigates the functional structures and potential applications of WSSV hub complexes in managing WSSV infection. Using computational methodologies, we have successfully generated comprehensive three-dimensional (3D) representations of hub proteins along with their three mutual binding counterparts, elucidating crucial interaction locations. The results of our study indicate that the WSSV051 hub protein demonstrates higher binding energy than WSSV517. Moreover, a unique motif, denoted as "S-S-x(5)-S-x(2)-P," was discovered among the binding proteins. This pattern perhaps contributes to the detection of partners by the hub proteins of WSSV. An antiviral strategy targeting WSSV hub proteins was demonstrated through the oral administration of dual hub double-stranded RNAs to the black tiger shrimp, Penaeus monodon, followed by a challenge assay. The findings demonstrate a decrease in shrimp mortality and a cessation of WSSV multiplication. In conclusion, our research unveils the structural features and dynamic interactions of hub complexes, shedding light on their significance in the WSSV protein network. This highlights the potential of hub protein-based interventions to mitigate the impact of WSSV infection in aquaculture.

Animals↗
PubMed1993

From the Canadian Dietetic Association. Concept of dietetic practice and framework for undergraduate education for the 21st century.

Rapid change and marked diversity are expected to characterize the 21st century. If dietitians are to serve as change facilitators in this environment they will have to demonstrate greater flexibility and creativity, practise critical analysis and problem solving and employ creative thinking. Although provision of quality nutrition care will remain the unique contribution of dietitians, practitioners in the future will require a greater understanding of the impact of social, economic and political systems on food availability and food consumption and, in turn, health and well-being. Critical to the future practice of dietetics will be a greater understanding of research methodology, computer technology, quality improvement processes and risk management, principles governing learning and behaviour, personnel management and organizational behaviour, family and group dynamics, interpersonal communication and their application to dietetic practice. The Canadian Dietetic Association recently adopted a framework for the development of baccalaureate programs in dietetics designed to enable the dietetic practitioner to continue to make a unique contribution in the 21st century. The framework allows individual institutions the freedom and flexibility to plan programs that are compatible with their philosophy and organizational structure. In addition, it is predicted on the principle that a career in dietetics entails a lifetime commitment to education, of which the baccalaureate program is only the beginning.

Canada↗
PubMed1999

Structure and receptor activity for classical cannabinoids.

In this decade, classical cannabinoid SAR has increasingly been interpreted in terms of ligand-receptor interaction. Membrane receptor binding affinity, inhibition of receptor coupled processes, functional in vitro assays that distinguish between agonists and antagonists, transfected receptor systems, and distinction among receptor subtypes have been applied to cannabinoid pharmacology studies. These studies have revealed information about the pivotal receptor interaction that mediates the neurochemical system characterized by the receptor. The positive correlation between binding affinity and behavioral effects validates ligand-receptor interaction as a focus for developing new cannabinoids with the potential for selective pharmacological effects. Added to these direct receptor studies are the computational methods that compare active and inactive ligands for steric, electronic, and conformational similarities that reveal an SAR for activity with a sophistication and a perspective not possible before computer methodology. Merging these studies with knowledge of the receptor sequence, consequences of mutations of the receptor, and a calculated structure of the receptor are evolving a physical picture of the interaction of cannabinoids with its receptor(s). This picture of a ligand-receptor interaction guides medicinal chemists in their interpretation of classical cannabinoid SAR and the design of new analogs for selective pharmacological activity and as probes of the cannabinoid receptor. It is from a receptor perspective that this review of the SAR of classical cannabinoids is presented.

Animals↗
PubMed2000

Audit of lymph node biopsies in suspected cases of lymphoproliferative malignancies: implications on tissue diagnosis and patient management.

AIMS: To carry out an audit ascertaining the importance of condition of lymph node specimen, submission of clinical history including site of biopsy and immunohistochemical studies on conclusiveness of diagnosis made. METHODOLOGY: Computer records of the Aga Khan University Hospital, Histopathology Laboratory were used to analyze all cases of lymphoproliferative malignancies presented at the hospital from 1992 to 1998. RESULTS: Out of a total of 466 cases studied, in 283 (61%) the lymph nodes were fragmented. The site of biopsy was mentioned in 361 (77.5%) cases with the cervical region forming the most common site (56.5%). A clinical history was submitted in 395 (85%) and a conclusive diagnosis was reached in 378 (81%) cases. CONCLUSION: This audit indicates a strong co-relation between the condition of lymph node biopsies received, clinical history of the patient submitted including site of biopsy, ancillary studies like IHC performed on the eventual outcome in the form of precise diagnosis and categorization of lymphoproliferative malignancies.

Adolescent↗
PubMed1992

[Application of multifactorial statistical calculation searching for a correlation between fat soluble vitamins and cancer].

The aim of this work was to combine computer methodology applied to multi-factorial statistical calculations with liquid chromatography results on the analyses of serum levels of retinol, bêta-carotene and tocopherols in healthy subjects and in patients with various cancers associated with certain tumor markers. Our results show that the serum levels of the vitamins studied differed in cancer patients in comparison to healthy controls. These results also confirm published data showing that serum variations are generally not characteristic of a specific tumor localization, without indicating if these variations are a cause or an effect of tumor development. Computerized multifactorial analysis taking into account the levels of all vitamins and tumor markers chosen, however, enabled us to classify the different tumors in five groups: cancers of the nervous system, urogenital tract cancers, laryngo-pulmonary cancers and two groups of digestive system cancers. This new approach may lead to the constitution of a data bank on the localization of tumors, as well as a reference system for all analyses of serum levels of vitamins associated with tumor markers.

Adult↗
PubMed1991

A detailed multipoint map of human chromosome 4 provides evidence for linkage heterogeneity and position-specific recombination rates.

Utilizing the CEPH reference panel and genotypic data for 53 markers, we have constructed a 20-locus multipoint genetic map of human chromosome 4. New RFLPs are reported for four loci. The map integrates a high-resolution genetic map of 4p16 into a continuous map extending to 4q31 and an unlinked cluster of three loci at 4q35. The 20 linked markers form a continuous linkage group of 152 cM in males and 202 cM in females. Likely genetic locations are provided for 25 polymorphic anonymous sequences and 28 gene-specific RFLPs. The map was constructed employing the LINKAGE and CRIMAP computational methodologies to build the multipoint map via a stepwise algorithm. A detailed 10-point map of the 4p16 region constructed from the CEPH panel provides evidence for heterogeneity in the linkage maps constructed from families segregating for Huntington disease (HD). It additionally provides evidence for position-specific recombination frequencies in the telomeric region of 4p.

Chromosome Mapping↗
PubMed1986

Interfacial reaction dynamics and acyl-enzyme mechanism for lipoprotein lipase-catalyzed hydrolysis of lipid p-nitrophenyl esters.

The fatty acyl (lipid) p-nitrophenyl esters p-nitrophenyl caprylate, p-nitrophenyl laurate and p-nitrophenyl palmitate that are incorporated at a few mol % into mixed micelles with Triton X-100 are substrates for bovine milk lipoprotein lipase. When the concentration of components of the mixed micelles is approximately equal to or greater than the critical micelle concentration, time courses for lipoprotein lipase-catalyzed hydrolysis of the esters are described by the integrated form of the Michaelis-Menten equation. Least square fitting to the integrated equation therefore allows calculation of the interfacial kinetic parameters Km and Vmax from single runs. The computational methodology used to determine the interfacial kinetic parameters is described in this paper and is used to determine the intrinsic substrate fatty acyl specificity of lipoprotein lipase catalysis, which is reflected in the magnitude of kcat/Km and kcat. The results for interfacial lipoprotein lipase catalysis, along with previously determined kinetic parameters for the water-soluble esters p-nitrophenyl acetate and p-nitrophenyl butyrate, indicate that lipoprotein lipase has highest specificity for the substrates that have fatty acyl chains of intermediate length (i.e. p-nitrophenyl butyrate and p-nitrophenyl caprylate). The fatty acid products do not cause product inhibition during lipoprotein lipase-catalyzed hydrolysis of lipid p-nitrophenyl esters that are contained in Triton X-100 micelles. The effects of the nucleophiles hydroxylamine, hydrazine, and ethylenediamine on Km and Vmax for lipoprotein lipase catalyzed hydrolysis of p-nitrophenyl laurate are consistent with trapping of a lauryl-lipoprotein lipase intermediate. This mechanism is confirmed by analysis of the product lauryl hydroxamate when hydroxylamine is the nucleophile. Hence, lipoprotein lipase-catalyzed hydrolysis of lipid p-nitrophenyl esters that are contained in Triton X-100 micelles occurs via an interfacial acyl-lipoprotein lipase mechanism that is rate-limited by hydrolysis of the acyl-enzyme intermediate.

Animals↗
PubMed1996

Computed tomographic enteroclysis: one methodology.

RATIONALE AND OBJECTIVES: Computed tomography (CT) is limited in the assessment of partial small bowel obstruction (SBO). Enteroclysis is preferred but gives little direct information about the bowel wall, mesentery, or remote findings. Preliminary results of a combined CT enteroclysis (CT-E) methodology are reported. METHODS: Forty-eight patients with suspected partial SBO underwent a water soluble contrast enteroclysis followed immediately by CT. Pump rates at fluoroscopy and CT were 75 to 100 cc/min unless a high-grade obstruction was encountered at fluoroscopy. Shrake's criteria for complete, high-grade or low-grade partial SBO were used. RESULTS: The calculated dose per patient was 27 rad for CT-E as opposed to 32 rad with traditional enteroclysis. Site specific sensitivity and specificity for low-grade partial SBO, were 82.1% and 87.5%. One death was encountered in a patient with diffuse abdominal metastatic disease and complete obstruction. This was caused by vomiting and aspiration secondary to tube placement alone, CT-enteroclysis having been aborted. CONCLUSIONS: Computed tomographic enteroclysis is a diagnostic option for evaluation of low-grade partial SBOs. Pitfalls with this technique are encountered in decompressed torsions and hernias.

Abdominal Neoplasms↗
PubMed1989

New methodology for computer-aided modelling of biomolecular structure and dynamics. 2. Local deformations and cycles.

A new methodology for the conformational modelling of biomolecular systems (1) is extended to local deformations of chain molecules and to flexible molecular rings. It is shown that these two cases may be reduced to considering an equivalent molecular model with a regular tree-like topology. A simple procedure is developed to analyze any flexible rings (the five- and six-membered sugar rings of carbohydrates and nucleic acids, in particular) and local deformation regions by energy minimization. Dynamic equations are also derived for such molecular systems. As a result, a unified approach is proposed for the efficient energy minimization and simulation of dynamic behavior of multimolecular systems having any set of variable internal coordinates, local deformation regions and cycles. Advantages and domains of applicability of the approach are discussed.

Computer Simulation↗
PubMed1989

New methodology for computer-aided modelling of biomolecular structure and dynamics. 1. Non-cyclic structures.

A general methodology is proposed for the conformational modelling of biomolecular systems. The approach allows one: (i) to describe the system under investigation by an arbitrary set of internal variables, i.e., torsion angles, bond angles, and bond lengths; it offers a possibility to pass from the free structure to a completely fixed one with the number of variables from 3N to zero, respectively, where N is the number of atoms; (ii) to consider both, a single molecule and a complex of many molecules, (e.g., proteins, water, ligands, etc.) in terms of one universal model; (iii) to study the dynamics of the system using explicit analytical Lagrangian equations of motion, thus opening up possibilities for investigations of slow concerted motions such as domain oscillations in proteins etc.; (iv) to calculate the partial derivatives of various functions of conformation, e.g., the conformational energy or external constraints imposed, using a standard efficient procedure regardless of the variables and the structure of the system. The approach is meant to be used in various investigations concerning the conformations and dynamics of biomacromolecules.

Computer Simulation↗
PubMed1992

Pharmacy computer prescription databases: methodologic issues of access and confidentiality.

OBJECTIVE: To examine methodologic issues of access and confidentiality regarding the use of pharmacy computer prescription databases (PCPDs) for participant selection to receive mailed, self-administered, hypertensive quality-of-life survey outside a primary-care setting. DESIGN: Two separate PCPD searches by pharmacist owners for patients prescribed at least one of 130 potential antihypertensive medications. The first PCPD used a nonrandom sample of all patients (n = 635); the second PCPD used a random sample (n = 100) of three specific antihypertensive drug groups. Research protocol was approved by the investigators' institutional review board. SETTING: Two independent, privately owned PCPDs. PATIENTS OR OTHER PARTICIPANTS: Individuals prescribed at least 1 of 130 PCPD medications potentially used in antihypertensive treatment. INTERVENTIONS: Individually addressed cover letter on pharmacy letterhead signed by a pharmacist requesting voluntary completion of the enclosed, self-administered, opinion survey on quality of life. MAIN OUTCOME MEASURE: Anonymous survey return to off-site post office box in envelope provided. RESULTS: Favorable or no opposition to PCPD methodology from pharmacist or participants. Ethical opposition was encountered when incorporating PCPD sampling technique into grant proposal. CONCLUSIONS: The American Pharmaceutical Association Code of Ethics is used as a basis to provide recommendations to examine and justify PCPD investigative use. Increasing availability of PCPD technology encourages more efficient and easier methods of research strategy. PCPD use, however, demands identical stringent guidelines used in traditional research and raises potential issues regarding pharmacist-patient confidentiality as well as the right of PCPD use by others.

Clinical Pharmacy Information Systems↗
PubMed2000

Analytical simulation and PROFAT II: a new methodology and a computer automated tool for fault tree analysis in chemical process industries.

Fault tree analysis (FTA) is based on constructing a hypothetical tree of base events (initiating events) branching into numerous other sub-events, propagating the fault and eventually leading to the top event (accident). It has been a powerful technique used traditionally in identifying hazards in nuclear installations and power industries. As the systematic articulation of the fault tree is associated with assigning probabilities to each fault, the exercise is also sometimes called probabilistic risk assessment. But powerful as this technique is, it is also very cumbersome and costly, limiting its area of application. We have developed a new algorithm based on analytical simulation (named as AS-II), which makes the application of FTA simpler, quicker, and cheaper; thus opening up the possibility of its wider use in risk assessment in chemical process industries. Based on the methodology we have developed a computer-automated tool. The details are presented in this paper.

Chemical Industry↗
PubMed1985

Numerical simulation of steady turbulent flow through trileaflet aortic heart valves--I. Computational scheme and methodology.

A numerical simulation model and technique are described to simulate steady turbulent blood flow through trileaflet tissue valves of varying degrees of stenosis. The aortic trileaflet tissue valve design was chosen as the subject of this study, since it is the only popular valve in current clinical use which is approximately axisymmetric. An axisymmetric geometry is computationally more convenient since it involves only two dimensional equations. The geometry and dimensions of the aorta were designed from angiographic studies and measurements made from cadavers. The valve dimensions were obtained from tissue leaflet photography studies conducted on tissue bioprostheses of varying degrees of stenosis. The non-rectangular nature of this valve necessitated the use of a body conforming grid. Thompson's method coupled with a Chimera grid system was chosen for this purpose. The Chimera grid was used to avoid a grid with highly skewed cells. Turbulence was simulated by using the kappa-epsilon model with the wall function method. This decision was made after comparing the kappa-epsilon model's performance with that of lower order models, and after considering the increased computer time requirements and decreased stability of more complex models, such as the Reynolds stress model. The results of the study which are very encouraging and compare favorably with in vitro experimental data, are described in Part II of the paper.

Aortic Valve↗