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72 results about "Molecular motion" patented technology

Molecular motion is the movement of molecules inside a substance without any external influence. This means it is the movement of particles inside a substance here and there randomly. This movement occurs only inside the boundary of the substance. These movements cause molecular collisions, in which molecules colloid with each other.

Liquid crystal display device and method for manufacture of same

In a method for manufacture of a liquid crystal display device in which a liquid crystal composition is placed between two substrates, after which ultraviolet irradiation is performed to form a liquid crystal layer, a specific polymerizable compound is used, or specific ultraviolet irradiation conditions are adopted, or processing is comprised midway through the ultraviolet irradiation to activate the molecular motion of liquid crystal molecules or to deform the liquid crystal layer. A method for manufacture of a liquid crystal display device and a liquid crystal display device manufactured by this method are provided, in which an alignment control film is rendered unnecessary, and which has such advantages as improved quality of the liquid crystal panel, enhanced production yields, streamlined manufacturing facilities, simplified processes, and reduced costs.
Owner:AU OPTRONICS CORP

Carbon nano tube (CNT)/ polylactic acid (PLA) composite material and preparation method thereof

The invention belongs to the technical field of macromolecular polymer based composite materials, particularly relates to a carbon nano tube (CNT) / polylactic acid (PLA) composite material and a preparation method thereof. The method is characterized in that a plasticizer is added in the traditional melt blending process, therefore, the affinity of carbon nano tubes with a PLA matrix can be improved and a CNT percolation network can be formed in the PLA. The preparation process is very simple and the preparation cost is lower. The molecular motion of the PLA is limited to a certain extent by the formation of the percolation network, therefore, the composite material shows an approximately solid elastic behavior; and the carbon nano tubes can disperse in the PLA matrix very well, therefore, a solid foundation is laid for improving the properties of the PLA.
Owner:EAST CHINA UNIV OF TECH

Preparation method of lithium ion battery anode slurry

ActiveCN102368544AVigorous Molecular MovementImprove consistencyCell electrodesSodium-ion batterySlurry
The invention provides a preparation method of lithium ion battery anode slurry with which effective control can be taken upon the consistency of a lithium ion battery in a micro perspective. The lithium ion battery anode slurry is prepared from mixed materials of a solvent, polyvinylidene difluoride, a conductive agent, and a lithium iron phosphate anode material. The preparation method comprises steps that: the solvent, polyvinylidene difluoride, the conductive agent, and the lithium iron phosphate anode material are well mixed under a temperature environment of 65 to 70 DEG C, such that the lithium ion battery anode slurry is prepared. According to the invention, during the whole slurry preparation procedure, the whole slurry system is maintained to be in a constant high temperature; with a method wherein the raw materials and the solvent are added to the slurry system in batches, the viscosity of the slurry system is controlled within a certain range; before a bonding agent is added, all solid powders are premixed by using the solvent, such that the components of the slurry are subject to more severe molecular motions under a temperature higher than that of a common slurry mixing technology. Therefore, electrode slurry with a better consistency in the micro perspective is obtained.
Owner:奇瑞新能源汽车股份有限公司

Charging management method and charger for lithium ion battery pack

The invention discloses a charging management method and a charger for a lithium ion battery pack, relating to application of the lithium ion battery pack on power equipment. In order to solve the defects of the security, the cycle life and the low temperature charging capacity of the lithium ion battery pack in the prior art, the invention provides the charging management method for the lithium ion battery pack. In the method, the lithium ion battery pack is charged in the manner of periodicity, i.e. each period consists of a charging phase and a standing phase. For the noncontinuous charging method, the concentration polarization and the electrochemical polarization are great in charging, but the concentration polarization and the electrochemical polarization are balanced very quickly due to molecular motion when power is cut off, therefore, the polarization of the battery can be reduced or eliminated, the security of the battery pack is greatly improved, the cycle life is prolongedand the low temperature charging capacity is enhanced. The charging method can be applied to the lithium ion battery pack of electric equipment, such as an electric bicycle, an electric automobile, an electric ship, an electric plane, a submarine, a torpedo, and the like.
Owner:BEIJING ELECTRIC VEHICLE

Method for testing thermo-oxidative ageing degree of polyethylene material

The invention discloses a method for testing the thermo-oxidative ageing degree of a polyethylene material, which comprises: (1) testing the molecular motion performance and condensed-state structure distribution of the polyethylene material; (2) calculating an aging factor, crystal phase mass percent content, interface mass percent content and amorphous phase mass percent content according to the result of test of the step (1) ; and (3) determining the aging degree of the polyethylene material according to the result of the calculation of the step (2). Compared with the traditional test method, the method of the invention has the advantages of convenience, quickness, high accuracy, small sample number, no damages to materials in use and wide application range.
Owner:ZHEJIANG UNIV

Polysilicon ingot casting device and ingot casting method

The invention discloses a polysilicon ingot casting device and ingot casting method. The ingot casting device disclosed by the invention comprises a crucible containing a silicon material. The ingot casting device is characterized by also comprising a gas delivery pipe and a power unit, wherein the gas delivery pipe is used for delivering argon gas to silicon liquid obtained by melting the silicon material; the power unit is used for driving the gas outlet end of the gas delivery pipe to charge and discharge the silicon liquid; the gas inlet end of the gas delivery pipe is arranged outside the crucible; and the power output end of the power unit is fixedly connected with the gas outlet end of the gas delivery pipe. The argon gas introduced into the silicon liquid can accelerate the separation of impurities in the silicon liquid from the silicon liquid, so that the impurities contained in the silicon material are quickly separated from the silicon liquid in the molecular motion process and reach to the silicon liquid surface to be volatilized so as to carry the impurities in the silicon liquid away, thereby increasing the impurity volatilization amount, reducing the impurity content in the silicon ingot, and enhancing the quality of the silicon ingot. Meanwhile, the delivery of the argon gas into the silicon liquid is carried out after melting the silicon material into the silicon liquid, and is finished before the silicon liquid crystal growth process; and the process can not prolong the existing ingot casting time or influence the existing ingot casting procedure, and thus, is convenient to implement.
Owner:TIANJIN YINGLI NEW ENERGY RESOURCES

Electronic pickle making method and device

InactiveCN101965962AQuick marinadeMonitoring MaturityFood preparationData acquisitionTransducer
The invention discloses an electronic pickle making method and a device. The device is characterized in that a control module is respectively connected with an ultrasound transmitting transducer, a sensor module, a power supply module and a wireless communication module and is in charge of controlling data acquisition, ultrasound transmitting and data processing and transmitting; and the ultrasound transmitting transducer transmits ultrasound under the control of the control module, quickens the molecular motion through transmitting the ultrasound and accelerates the preservation. The making method comprises the steps of quickening the penetration of fresh vegetables through transmitting the ultrasound to realize rapid preservation of the pickle; and monitoring the maturity of the pickle through online comparing temperature values, PH values and salinity values acquired by the sensor module and controlling the preserving process. The invention provides real-time online monitoring for preservation conditions, is flexible and convenient to control, can immediately inform the worker of taking measures such as alarm, and has the advantages of rapidness, high efficiency and intelligence.
Owner:SOUTH CHINA UNIV OF TECH

Laser scanning microscope and method of use

An improved laser scanning microscope and method of use are disclosed that enable polarization anisotropy measurements to be made with greater sensitivity and accuracy. A controllable optical element is provided in a light path between a laser source and a sample, and is controlled so that the sample is alternately irradiated with light beams that are orthogonally polarized. This enables the signal strength to be higher than with previous laser scanning microscopes. Moreover, because the orthogonally polarized light beams that are alternately incident onto a sample may be switched at a high rate, a reduction may be achieved in the influence of molecular motion within a sample in which high speed biological reactions are observed.
Owner:EVIDENT CORP

Liquor catalytic ageing method

The invention discloses a method for catalytic aging of wine. The method comprises: microwave treatment, temperature control treatment, oxygen flow treatment and capping treatment. This method combines microwave aging, oxygen aging, natural aging and other methods to promote wine aging. Microwave is a high-frequency oscillating electromagnetic wave, which can add high-frequency oscillating energy to wine, so that The wine also has the same molecular movement as the microwave frequency. Due to the high-speed movement, the molecular arrangement of the wine is changed, thus promoting the aging of the physical properties of the wine, and the temperature control treatment can increase the temperature of the wine, thereby making the wine Accelerates the esterification reaction of acids and alcohols in the wine, making the wine softer, increasing the total ester content, and increasing the aroma of the wine. Oxygen treatment can promote the chemical aging of the wine, and the natural aging of the final cap can make the whole wine body more uniform And stable, after 2-3 months of storage, the sulfide in the wine disappears, and the pungent taste is greatly reduced.
Owner:遵义市董程窖酒厂

Gas molecular motion test system

The invention provides a gas molecular motion test system, comprising: two gas sources, a gas booster, a gas diffusion device, a detection device and an evacuating device, wherein a molecular membraneholder in the gas diffusion device comprises a holder body and a molecular membrane clamp; the molecular membrane clamp is used to clamp the molecular membrane and is fixed in the inner space of theholder body to divide the internal space of the holder body into two diffusion chambers, two gases with the same pressure are respectively charged in the two diffusion chambers, the gas in any one diffusion chamber is diffused through the molecular membrane to the other diffusion chamber, and then component and concentration analysis of the sample gas collected from the diffusion chambers is performed by the detection device to test the law of movement of shale gas passing through microscopic pores. The gas molecular motion test system utilizes a molecular membrane as a test medium to simulatemicroscopic pores of different scales, which effectively shortens the test period.
Owner:PETROCHINA CO LTD +1

Continuous drop emitter with reduced stimulation crosstalk

A continuous drop emitter comprising a liquid supply chamber containing a liquid held at a positive pressure; first and second nozzles in fluid communication with the liquid supply chamber nozzles emitting first and second continuous streams of a liquid; first and second stream break-up transducers adapted to independently synchronize the break up of the first and second continuous streams of the liquid into first and second streams of drops of predetermined volumes, respectively; and an acoustic damping material located adjacent to or within the liquid supply chamber for damping sound waves generated within the liquid chamber by the first and second stream break-up transducer. The continuous drop emitter may also configured with a Helmholtz resonant chamber tuned to a critical stimulation frequency having an acoustic damping material therein for absorbing acoustic stimulation energy. The Helmholtz resonant chamber may serve as a portion of the common liquid supply for the first and second jets in which case the acoustic damping material may be porous to allow the liquid to pass through. The acoustic damping materials may acoustically lossy materials that transmute energy into heat via molecular motions. The acoustic damping materials may be porous materials that absorb acoustic energy by forcing the liquid through small passages causing viscous flow energy losses. In addition the acoustic damping materials may include components that cause the disruption of acoustic waves by reflection from materials that are impedance mismatched to the liquid, either very dense materials or gas filled voids.
Owner:EASTMAN KODAK CO

Method for eliminating deformation of fraxinus mandshurica wood

InactiveCN107127849ASolve the deformationSolve problems that are highly affected by temperature changesWood treatment detailsPretreatment apparatusFraxinusInstability
The invention relates to the technical field of wood product processing and manufacturing, and discloses a method for eliminating deformation of fraxinus mandshurica wood. The method comprises the following steps that (1) the newly-cut fraxinus mandshurica wood is dried to constant weight, the internal moisture is removed, then impregnation liquid is used to conduct soaking treatment, the problem that the internal fiber structure is greatly affected by temperature changes is solved, on the one hand, kinetic energy of molecular motion is decreased, and on the other hand, the problem of wood instability caused by external force is solved, and the mechanical property is improved; (2) the wood is put into a pressure tank, mixed resin is utilized to conduct soaking processing for the wood under pressure, the surface wetting and infiltration uniformity are improved, and force strength and bearing uniformity of the wood are improved; and (3) under pressing and infiltration, the permeability of the resin is further enhanced. The wood obtained by drying has high waterproofness and yielding resistance, and the problem that existing fraxinus mandshurica wood is prone to deform is solved.
Owner:FUNAN XINGGUANG ARTS & CRAFTS CO LTD

High-frequency suspension heat transfer printer without pressure

ActiveCN110525023AChange motionAchieve automatic leveling effectTransfer printingDuplicating/marking methodsFrequency waveEngineering
The invention relates to the technical field of heat transfer printing, in particular to a high-frequency suspension heat transfer printer without pressure. The high-frequency suspension heat transferprinter without pressure is characterized in that a 60-100Hz high-frequency signal is generated through a high-frequency switching power supply, a high-frequency transduction motor is driven to convert the signal into the high-frequency mechanical vibration, a 60 to 100Hz high-frequency wave is generated and is propagated in a longitudinal diffusion manner, namely, a whole transfer printing surface is covered in a direction perpendicular to the transfer printing surface, so that the waste loss caused by the transverse propagation, namely the direction parallel to the transfer printing surface, is avoided, the high-frequency wave acts on the molecular motion during the transfer printing process to the maximum extent, the molecular motion state is effectively changed, the molecular permeability is enhanced, the physical pressure is replaced by the high-frequency wave, the heat transfer printing process is thoroughly changed, and the pressure-free heat transfer printing is achieved.
Owner:义乌泰乐机械设备有限公司

Method for extracting gold from geyerite through microwaves

The invention belongs to the technical field of wet metallurgy and particularly relates to a method for extracting gold from geyerite through microwaves. The geyerite is subjected to primary microwave treatment, and the microwaves act on substance molecules by means of the specific property of the microwaves, so that molecular motion is accelerated, mutual friction occurs, a lot of heat is generated, reaction is accelerated, the reaction time is greatly shortened, the production efficiency is improved, and the extracting rate of the gold is ensured; during leaching, the microwaves emitted from a microwave reaction kettle are adopted again to enable the material to be continuously subjected to strengthening reaction and decomposition, and thus the leaching rate of the gold is greatly increased; and in addition, the reaction time is further greatly shortened through microwave reaction and shortened from 72 h to 2 h, so that the production efficiency is greatly improved.
Owner:铜仁市万山区盛和矿业有限责任公司

Preparation method of barium titanate-based ceramic powder

The invention relates to a preparation method of barium titanate-based ceramic powder, and belongs to the technical field of piezoelectric ceramics. According to the preparation method, barium titanate tetragonal nano-powder is prepared by a microwave assisted oxalic acid precipitation method, and energy is transferred directly to a reaction system through microwave energy and internal heating generated by intermolecular interaction, so that intense molecular motion and friction are caused, and heat is produced. By means of heating through microwave absorption of substances, the reaction rateis increased, and the reaction activation energy is reduced. Meanwhile, the solution energy heating rate is increased, the influence of a heating process is lowered effectively, the whole sample quickly reaches a set temperature, the phenomenon of wider size distribution of synthetic powder caused by the factors of non-uniformity, low speed and the like in traditional heating is improved, and theprepared barium titanate nano-powder is high in crystallinity and purity, uniform in distribution and 30 to 50nm in grain size. By adopting the barium titanate-based ceramic powder, grain growth can be effectively inhibited, the ceramic density and ceramic impedance are increased, loss is reduced, and the breakdown field strength of ceramic materials is enhanced.
Owner:李巧珍

Method for detecting moisture regain of novel textile fabric

Present invention provides textile materials moisture regaining rate detective method. Said method can accurately distinguish textile materials adsorbent free water and textile materials crystal water without damaging textile materials structure, duo to free water easy movement, its transverse direction relaxation time T2 rather short, but crystal water molecular motion slightly slower, its transverse direction time T2 rather long. In nuclear magnetic resonance spectrum chart free water absorption peak area (integration height) is directly proportional to 1Hproton number in free water molecule, thereof accurately measure free water and textile materials moisture regaining rate. Said invention is novel, accuracy, fast, high efficiency, and energy-saving detection method.
Owner:上海宝鼎电子有限公司 +2

Preparation method of nano silicon matting agent

InactiveCN108299930ASmall particle sizeArranged tightly and evenlyCoatingsFiberCarbon layer
The invention relates to a preparation method of a nano silicon matting agent, and belongs to the technical field of preparation of matting agent. Rice hull ash not only contains ash silica, but alsocontains rice hull carbonized wood fibers; in the micro-carbonization process, a magnesium powder can be quickly burned and oxidized into magnesium oxide, is adsorbed in micropores of the carbonized wood fibers, silica is coated in the carbonized wood fibers, the particle size of magnesium oxide crystals on the surface of a matting material is small, and the arraying is more dense and uniform, sothe hand felling is good; in the matting material prepared by the matting agent, light passes through the magnesium oxide crystals, is refracted to a carbon layer and reaches the surface of the silicananoparticles, and most of energy is absorbed by the carbon layer in a form of molecular motion; and finally, large-probability diffuse reflection happens due to small particle size of silica, so asto achieve excellent matting effect.
Owner:赵顺全

Production equipment and preparation method of rare earth oxides

The invention relates to the technical field of materials, and particularly relates to production equipment and a preparation method of rare earth oxides. The production equipment of rare earth oxidescomprises a reactor, a microwave heating device, a gas carrying tank and a liquid storage tank, wherein the microwave heating device is nested outside of the reactor; the reactor comprises a gas inlet section, a contraction section, a throat section and a gas outlet section connected in sequence; the gas of the gas carrying tank comprises oxygen; the gas carrying tank is communicated with the gasinlet section so that the gas can enter the reactor and flow in a length direction of the reactor; the liquid storage tank is communicated with the throat section so that a rare earth chloride solution enters the reactor, flows to the gas outlet section and reacts with the oxygen to generate rare earth oxides and hydrogen chloride. The production equipment solves technical problems that the existing preparation equipment is unevenly heated to result in excess local temperature, and molecular motion of an outer heated region is active to easily form aggregation of products from the outside tothe inside so that the products are easily agglomerated to result in uneven particle size and different shapes.
Owner:东北大学秦皇岛分校

Urethane resin comprising a polyrotaxane and polishing pad

To provide a urethane resin for sliding members which has high abrasion resistance and is considered that crosslinking points are uniformly dispersed so that molecular motion is suitably possible. Particularly, to provide the urethane resin can be advantageously used as a polishing pad.There is provided the urethane resin for polishing is obtained by polymerizing a polymerizable composition comprising (A) a polyrotaxane having a composite molecular structure formed by an axial molecule and a plurality of cyclic molecules clathrating the axial molecule and side chains having an active hydrogen group introduced into at least some of the cyclic molecules and (B) a polyiso(thio)cyanate compound.
Owner:TOKUYAMA CORP

Pigment mixing equipment for sound wave heating resonance anti-adhesion printing packaging

The invention discloses pigment mixing equipment for sound wave heating resonance anti-adhesion printing packaging. Th equipment structurally comprises a base, a controller, a motor, a connector, a rotation rod and a stirring device. Under the effect of a current generation device and an electric heating wire, an arch movement block moves upwards to extrude a dielectric substance to form current,the current is introduced into the electric heating wire through a wire for heating a shell, the water contact solubility of the external phase of the shell is improved, the molecular motion of pigment attached to the shell is improved, and accordingly the pigment can be better cleaned; under the effect of a sound wave resonance device, sound waves generated by impact of the shell and the water flow are collected through reflection of a sound returning plate, a vibration insulation film vibrates and collides a vibration tuning fork, the vibration tuning fork gives out sound waves so that a resonance tuning fork can be subjected to resonance, a resonance plate is subjected to resonance, the shell is driven to vibrate to form bubbles, impact waves are generated when the bubbles are closed, and the aim of cleaning and purifying the shell is achieved.
Owner:赣州惠彩印刷有限公司

A kind of reaction kettle with net cover type stirrer

The invention discloses a reaction kettle of a grill type stirrer, relates to the technical field of production of high-density trimanganese tetraoxide precursor high-purity manganese carbonate, in particular to a high-purity manganese carbonate precursor used for producing high-density trimanganese tetraoxide precursor The reaction kettle of the net cover type agitator adopts blade type agitation for the prior art. During the agitation process, the moving track distance of the agitated raw materials is short, and the intermingling is uneven, which directly affects the reaction rate, resulting in manganese carbonate generated during the reaction process. The number of crystal nuclei is small, the crystal nuclei are small, and the technical problems of low reaction efficiency. Using a unique multi-layer grille stirrer combined with a coil heater can make the raw material of high-purity manganese carbonate being stirred move axially and radially. , Accelerate the speed of molecular movement and increase the probability of collision, thus completely solving the problem of small number and small crystal nuclei of manganese carbonate produced in the internal reaction process of the traditional reactor, and improving the reaction efficiency.
Owner:DAXIN MANGANESE MINE BRANCH OF CITIC DAMENG MINING IND

Air inlet front edge shock wave aerodynamic heat simulation analysis method

The air inlet channel leading edge shock wave aerodynamic heat simulation analysis method comprises the steps: S1, enabling simulation molecules to carry out constant-speed linear motion with the duration being delta tm at the current speed and in the current direction; s2, simulating the action with the boundary in the molecular motion process, and adopting different processing methods for different boundaries; s3, sorting the simulation molecules according to the grid serial numbers; s4, sampling the molecular collision pairs; s5, determining molecular energy distribution before collision, determining a molecular energy relaxation process during collision, and determining redistribution of internal energy after molecular collision according to the intramolecular energy transfer model; s6, simulating a chemical reaction of the sampled molecular collision pairs to obtain thermodynamic state parameters of each molecular collision pair; s7, repeating the steps S1-S6, judging whether thesimulation time reaches the sampling time or not after N time steps, if so, entering S8, and otherwise, repeating the steps S1-S7; and S8, performing statistical calculation on the simulation molecules in each grid unit to obtain a temperature field of the shock waves at the front edge of the air inlet channel.
Owner:上海索辰信息科技股份有限公司

Processing method for improving performance of 3D printed polymer material component

The invention discloses a processing method for improving performance of a 3D printed polymer material component. The processing method comprises the steps of carrying out a primary cryogenic treatment on the 3D printed polymer material component; cooling naturally after the primary cryogenic treatment is finished; carrying out secondary cryogenic treatment after natural cooling; and continuously carrying out annealing treatment after the secondary cryogenic treatment. The processing method is carried out at an ultralow temperature; molecular motion is very slow; internal energy in the whole molecular chain is significantly increased; a microstructure of the polymer becomes dense and ordered; and the whole material structure becomes more balanced, so that mechanical property of the material is greatly improved. Due to the cryogenic treatment on the polymer material, polymer chains in the material are arranged in order; grain size becomes small; and degree of crystallinity is increased, so that the wear resistance, bending resistance and tensile strength of the polymer material are greatly improved. The mechanical performances of the processed 3D printed polymer material component are enhanced obviously, so that the processed 3D printed polymer material component can be applied in industrial production more widely.
Owner:NANTONG UNIVERSITY

Atmosphric vortex engine

InactiveUS20150059364A1Compact and reliable and affordable and flexibleLarge capacityCompression machinesEvaporationEngineering
The present invention comprises a device capable of setting ambient air pressure into motion and maintaining a vortex. The apparatus uses a vacuum pump to set it into motion to generate a plurality of converging and diverging portions of high and low pressure regions. The high velocity air stream enters the vortex generating zone. It also provides the ability to inject water into the vortex tube to lower the temperature of the air within the vortex tube to via into evaporation. The outer vortex and inner vortex functions by converting the random molecular motion of the molecules to water molecules to absorb the latent heat. Gas Dynamics, the branch of fluid dynamics concerned with the study of motion of gases, relates the kinetic motion of a gas molecules to its absolute temperature.
Owner:VAN VALKENBURGH MAYNARD LAMBERT +1

Ion-conductive material, solid polymer electrolyte membrane, and fuel battery

This invention provides an ion-conductive material characterized by comprising an ion-conductive main component polymer and a polymer, with a lower glass transition temperature (Tg) than the main component polymer, added to the main component polymer, and a solid polymer fuel battery using the ion-conductive material. The above constitution can improve the ion conductivity of a solid polymer electrolyte from the viewpoint of molecular motion.
Owner:TOYOTA JIDOSHA KK

Hair growth liquid and preparation method thereof

The invention provides hair growth liquid and a preparation method thereof, which belong to the technical filed of traditional Chinese medicine. The hair growth liquid is prepared the following raw materials: ginseng, notoginseng, Radix Astragali, ginger juice, cynomorium songaricum, wolfberry, and Platycladus orientalis. The method comprises the following steps: : (1) washing ginseng, notoginseng, Radix Astragali, ginger juice, cynomorium songaricum, wolfberry and Platycladus orientalis; and (2) extracting all the essences of the medicinal materials and mixing the materials. The raw materialsused in the hair growth liquid are not compatible, and all the raw materials can be extracted from the active ingredients to prepare the hair growth liquid, a ultrasonic extraction method uses ultrasonic waves to increase the frequency and speed of molecular motion, increases solvent penetration, increases drug dissolution rate and dissolution times, shortens extraction time, and significantly improves extraction efficiency. The hair growth liquid synergizes with various Chinese medicine ingredients, can change the blood circulation of the head, activates the hair follicle to re-take nutrients, realizes the rapid loss resisting and hair repairing, and achieves the effect of treating both the symptoms and the root causes.
Owner:江苏中洼食品有限公司

Force field based molecular structure and conformer generation

Systems and methods for molecular structure generation and conformer elaboration, in which natural physical molecular movements can be combined with a molecular force field that constrains those movements, to rapidly produce conformational variants with relatively low energy. Construction and energy minimization of initial and subsequent 3D molecular models using force field parameters, are combined with alteration of the molecular model using biophysical transformations, to generate one or more conformations thereof. The biophysical transformations each include natural physical movements of parts of the molecule, such as rotation of atoms or bonds about a selected axis in the 3D molecular model. The selected axis can define ring components, selected bonds within a macrocyclic ring, selected bonds joining substituents or other portions of the molecule, or axes or lines defining one or more geometric features of the molecular model. Once altered using biophysical transformations, the 3D molecular model can also have energy minimization performed with respect to a molecular force field model. A subset of the generated conformers can be collected, compressed from time to time, and selected for output.
Owner:BIOPHARMICS LLC
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