Toward a Total Model for the Molybdenum Hydroxylases:  Synthesis, Redox, and Biomimetic Chemistry of Oxo-thio-Mo(VI) and -Mo(V) Complexes

2000 ◽  
Vol 122 (12) ◽  
pp. 2946-2947 ◽  
Author(s):  
Paul D. Smith ◽  
Damian A. Slizys ◽  
Graham N. George ◽  
Charles G. Young
Keyword(s):  
Biomimetic Chemistry ◽  
Total Model

scholarly journals Biomimetic chemistry: a frontier at the chemistry/biology interface

1998 ◽  
Vol 5 (2) ◽  
pp. R27-R28 ◽  
Author(s):  
Ronald Breslow
Keyword(s):  
Biomimetic Chemistry

Combinatorial Biomimetic Chemistry: Parallel Synthesis of a Small Library ofβ-Hairpin Mimetics Based on Loop III from Human Platelet-Derived Growth Factor B

2000 ◽  
Vol 83 (12) ◽  
pp. 3097-3112 ◽  
Author(s):  
Lujong Jiang ◽  
Kerstin Moehle ◽  
Boopathy Dhanapal ◽  
Daniel Obrecht ◽  
John A. Robinson
Keyword(s):  
Growth Factor ◽  
Human Platelet ◽  
Parallel Synthesis ◽  
Platelet Derived Growth Factor ◽  
Biomimetic Chemistry ◽  
Factor B

scholarly journals An enhanced set of displacement parameter restraints in CRYSTALS

2018 ◽  
Vol 51 (4) ◽  
pp. 1059-1068 ◽  
Author(s):  
Pascal Parois ◽  
James Arnold ◽  
Richard Cooper
Keyword(s):  
Structural Model ◽  
Rigid Bodies ◽  
Model Parameters ◽  
Coordinate Systems ◽  
Principal Axes ◽  
Anisotropic Displacement Parameters ◽  
Set Up ◽  
Meaningful Relationships ◽  
Parameter Values ◽  
Total Model

Crystallographic restraints are widely used during refinement of small-molecule and macromolecular crystal structures. They can be especially useful for introducing additional observations and information into structure refinements against low-quality or low-resolution data (e.g. data obtained at high pressure) or to retain physically meaningful parameter values in disordered or unstable refinements. However, despite the fact that the anisotropic displacement parameters (ADPs) often constitute more than half of the total model parameters determined in a structure analysis, there are relatively few useful restraints for them, examples being Hirshfeld rigid-bond restraints, direct equivalence of parameters and SHELXL RIGU-type restraints. Conversely, geometric parameters can be subject to a multitude of restraints (e.g. absolute or relative distance, angle, planarity, chiral volume, and geometric similarity). This article presents a series of new ADP restraints implemented in CRYSTALS [Parois, Cooper & Thompson (2015), Chem. Cent. J. 9, 30] to give more control over ADPs by restraining, in a variety of ways, the directions and magnitudes of the principal axes of the ellipsoids in locally defined coordinate systems. The use of these new ADPs results in more realistic models, as well as a better user experience, through restraints that are more efficient and faster to set up. The use of these restraints is recommended to preserve physically meaningful relationships between displacement parameters in a structural model for rigid bodies, rotationally disordered groups and low-completeness data.

Beyond the Roles in Biomimetic Chemistry: An Insight into the Intrinsic Catalytic Activity of an Enzyme for Tumor-Selective Phototheranostics

ACS Nano ◽  
2018 ◽  
Vol 12 (12) ◽  
pp. 12169-12180 ◽  
Author(s):  
Weitao Yang ◽  
Xiudong Shi ◽  
Yuxin Shi ◽  
Defan Yao ◽  
Shizhen Chen ◽  
...  
Keyword(s):  
Catalytic Activity ◽  
Biomimetic Chemistry ◽  
Insight Into ◽  
Tumor Selective

scholarly journals Toward Chemotherapy on the Basis of Biomimetic Chemistry

2002 ◽  
Vol 7 (8) ◽  
pp. 71-73
Author(s):  
Yoko Matsumoto
Keyword(s):  
Biomimetic Chemistry

Simulation in Marine Transportation System

1989 ◽  
Vol 26 (01) ◽  
pp. 74-85
Author(s):  
Khabirul Haque Chowdhury
Keyword(s):  
Real Life ◽  
Transportation System ◽  
Transportation Systems ◽  
Computer Simulation Model ◽  
Marine Transportation ◽  
Operating Variables ◽  
Productivity Data ◽  
Real Life Data ◽  
Port System ◽  
Total Model

This paper describes a computer simulation model as an essential technique to examine alternative marine transportation systems. A two-port system with a two-deck roll-on/roll-off (RO/RO) ship has been taken for the study to represent a short sea transportation system. All operating variables, including those which exhibit random variation in the RO/RO transportation system, have been incorporated. Productivity data for varying number of tugmasters and for alternative internal access options have been obtained partly from physical observation and partly from the output of a simplified mathematical model. A simple economic model has been incorporated to enable the total model to produce the relevant output for the alternatives. The model also produces as output various histograms for some of the operational indices of interest. In the absence of enough real-life data for comparison, some of the results have been verified through the opinion of experts. It was found that such simulation studies are useful and indeed practical tools for the analysis of complex marine transportation systems.

Biomimetic Chemistry

1996 ◽  
pp. 113-135 ◽  
Author(s):  
R. Breslow
Keyword(s):  
Biomimetic Chemistry

scholarly journals Iron-catalysed oxidation and halogenation of organic matter in nature

2015 ◽  
Vol 12 (4) ◽  
pp. 381 ◽  
Author(s):  
Peter Comba ◽  
Marion Kerscher ◽  
Torsten Krause ◽  
Heinz Friedrich Schöler
Keyword(s):  
Organic Matter ◽  
Ozone Depletion ◽  
Terrestrial Ecosystems ◽  
Formation Mechanisms ◽  
Mechanistic Studies ◽  
Biomimetic Chemistry ◽  
Fenton Chemistry ◽  
Volatile Hydrocarbons ◽  
Recent Advances ◽  
Catalysed Oxidation

Environmental context Natural organohalogens produced in and released from soils are of utmost importance for ozone depletion in the stratosphere. Formation mechanisms of natural organohalogens are reviewed with particular attention to recent advances in biomimetic chemistry as well as in radical-based Fenton chemistry. Iron-catalysed oxidation in biotic and abiotic systems converts organic matter in nature to organohalogens. Abstract Natural and anthropogenic organic matter is continuously transformed by abiotic and biotic processes in the biosphere. These reactions include partial and complete oxidation (mineralisation) or reduction of organic matter, depending on the redox milieu. Products of these transformations are, among others, volatile substances with atmospheric relevance, e.g. CO2, alkanes and organohalogens. Natural organohalogens, produced in and released from soils and salt surfaces, are of utmost importance for stratospheric (e.g. CH3Cl, CH3Br for ozone depletion) and tropospheric (e.g. Br2, BrCl, Cl2, HOCl, HOBr, ClNO2, BrNO2 and BrONO2 for the bromine explosion in polar, marine and continental boundary layers, and I2, CH3I, CH2I2 for reactive iodine chemistry, leading to new particle formation) chemistry, and pose a hazard to terrestrial ecosystems (e.g. halogenated carbonic acids such as trichloroacetic acid). Mechanisms for the formation of volatile hydrocarbons and oxygenated as well as halogenated derivatives are reviewed with particular attention paid to recent advances in the field of mechanistic studies of relevant enzymes and biomimetic chemistry as well as radical-based processes.

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