11,035 research outputs found

    Sy Montgomery and Matt Patterson: 2024 Cook Prize Gold Medal Winners

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    Author Sy Montgomery and illustrator Matt Patterson\u27s video for The Book of Turtles (Clarion)https://educate.bankstreet.edu/cook/1012/thumbnail.jp

    Systems metabolic engineering

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    As our concerns on environmental problems are increasing, there has been much interest in developing bio-based systems for the production of chemicals, fuels, and materials from renewable resources. Microorganisms isolated from nature are often employed for this purpose, but their efficiencies of producing desired products are rather low. Thus, their phenotypes have been improved by random mutagenesis and selection. During the last couple of decades, metabolic engineering has been established and applied for more efficient and rational design and development of microbial strains producing these products. We are now observing another paradigm shift in developing industrial microorganisms based on the recent advances in systems biology and synthetic biology, which are enabling us to approach biological and biotechnological problems at systems level with designer’s concept. It is now becoming possible to perform systems metabolic engineering. In this lecture, I will present the general strategies for systems metabolic engineering with several example products such as amino acids, diamines, and biopolymers

    Geometric snakes for triangular meshes

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    Feature detection is important in various mesh processing techniques, such as mesh editing, mesh morphing, mesh compression, and mesh signal processing. In spite of much research in computer vision, automatic feature detection even for images still remains a difficult problem. To avoid this dfficulty, semi-automatic or interactive techniques for image feature detection have been investigated. In this paper, we propose a geometric snake as an interactive tool for feature detection on a 3D triangular mesh. A geometric snake is an extension of an image snake, which is an active contour model that slithers from its initial position specified by the user to a nearby feature while minimizing an energy functional. To constrain the movement of a geometric snake onto the surface of a mesh, we use the parameterization of the surrounding region of a geometric snake. Although the definition of a feature may vary among applications, we use the normal changes of faces to detect features on a mesh. Experimental results demonstrate that geometric snakes can successfully capture nearby features from user-specified initial positions.X1146sciescopu

    KRAMERS RESTRICTED HARTREE-FOCK METHOD FOR POLYATOMIC-MOLECULES USING ABINITIO RELATIVISTIC EFFECTIVE CORE POTENTIALS WITH SPIN ORBIT OPERATORS

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    A two-component Kramers' restricted Hartree-Fock method (KRHF) has been developed for the polyatomic molecules with closed shell configurations. The present KRHF program utilizes the relativistic effective core potentials with spin-orbit operators at the Hartree-Fock (HF) level and produces molecular spinors obeying the double group symmetry. The KRHF program enables the variational calculation of spin-orbit interactions at the HF level. KRHF calculations have been performed for the HX, X2, XY(X, Y = I, Br), and CH3I molecules. It is demonstrated that the orbital energies from KRHF calculations are useful for the interpretation of spin-orbit splittings in photoelectron spectra. In all molecules studied, bond lengths are only slightly expanded, harmonic vibrational frequencies are reduced, and bond energies are significantly decreased by the spin-orbit interactions

    ABINITIO ELECTRONIC-STRUCTURE CALCULATIONS OF O2 USING COUPLED CLUSTER APPROACHES AND MANY-BODY PERTURBATION-THEORY

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    The ground state of the oxygen molecule is calculated by various methods of coupled cluster approaches and many body perturbation theory using a double zeta plus polarization basis set and the UHF reference state. All the methods employed are capable of describing the oxygen molecule near the equilibrium bond length and the separated atom but do not correctly depict the breaking of the multiple bond. For this basis set, including more correlations does not necessarily improve the agreement with experiment for molecular properties such as bond lengths and dissociation energies

    2ND-ORDER MOLLER-PLESSET PERTURBATION-THEORY CALCULATIONS WITH RELATIVISTIC EFFECTIVE CORE POTENTIALS INCLUDING SPIN ORBIT OPERATORS

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    The two-component Hartree-Fock method using relativistic effective core potentials (RECP) is extended to include electron correlations by second-order Moller-Plesset perturbation theory (MP2). The present method simultaneously treats electron correlation and all the relativistic effects in REP including spin-orbit effects. It is possible to estimate differential correlation effects on molecular properties due to the relativity and/or the spin-orbit interactions at the MP2 level using the present method. Test calculations have been performed for HX, X2, XY (X, Y = Br, I), and PbH4 molecules. Spin-orbit and electron-correlation effects are rather small for the equilibrium bond lengths and dissociation energies of the tested molecules, but exhibit interesting trends

    Celecoxib and sulindac sulfide elicit anticancer effects on PIK3CA-mutated head and neck cancer cells through endoplasmic reticulum stress, reactive oxygen species, and mitochondrial dysfunction

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    Gain-of-function mutation in the phosphatidylinositol-4,5-bisphosphate 3-kinase (PI3K) catalytic subunit alpha gene (PIK3CA) is a significant factor in head and neck cancer (HNC). Patients with HNC harboring PIK3CA mutations receive therapeutic benefits from the use of non-steroidal anti-inflammatory drugs (NSAIDs). However, the molecular mechanisms underlying these effects remain unknown. Here, we examined the Detroit562 and FaDu cell lines as HNC models with and without a hyperactive PIK3CA mutation (H1047R), respectively, regarding their possible distinct responses to the NSAIDs celecoxib and sulindac sulfide (SUS). Detroit562 cells exhibited relatively high PI3K/Akt pathway-dependent cyclooxygenase-2 (COX-2) expression, associated with cell proliferation. Celecoxib treatment restricted cell proliferation and upregulated endoplasmic reticulum (ER) stress-related markers, including GRP78, C/EBP-homologous protein, activating transcription factor 4, death receptor 5, and reactive oxygen species (ROS). These effects were much stronger in Detroit562 cells than in FaDu cells and were largely COX-2-independent. SUS treatment yielded similar results. Salubrinal (an ER stress inhibitor) and N-acetyl-L-cysteine (a ROS scavenger) prevented NSAID-induced ROS generation and ER stress, respectively, indicating crosstalk between ER and oxidative stress. In addition, celecoxib and/or SUS elevated cleaved caspase-3 levels, Bcl-2-associated X protein/Bcl-2-interacting mediator of cell death expression, and mitochondrial damage, which was more pronounced in Detroit562 than in FaDu cells. Salubrinal and N-acetyl-L-cysteine attenuated celecoxib-induced mitochondrial dysfunction. Collectively, our results suggest that celecoxib and SUS efficiently suppress activating PIK3CA mutation-harboring HNC progression by inducing ER and oxidative stress and mitochondrial dysfunction, leading to apoptotic cell death, further supporting NSAID treatment as a useful strategy for oncogenic PIK3CA-mutated HNC therapy
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