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92 results about "Molecular conformation" patented technology
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Molecular conformation is any spatial arrangement of the atoms in a molecule which can be interconverted by rotations about formally single bonds. Biopolymers, such as polynucleotides, polypeptides or polysaccharides, may change conformation in response to changes in their environment.
Bistable molecular mechanical devices with a middle rotating segment activated by an electric field for electronic switching, gating, and memory applications
InactiveUS6674932B1Fast switching timeEasy and cheapOrganic chemistryIndividual molecule manipulationElectronic switchEngineering
A molecular system is provided for electric field activated switches, such as a crossed-wire device or a pair of electrodes to which the molecular system is linked by linking moieties. The crossed-wire device comprises a pair of crossed wires that form a junction where one wire crosses another at an angle other than zero degrees and at least one connector species connecting the pair of crossed wires in the junction. The connector species comprises the molecular system, which has an electric field induced band gap change, and thus a change in its electrical conductivity, that occurs via one a molecular conformation change, based on a rotor / stator construction of the molecular system, involving a rotating portion (rotor) connected between to stationary portions (stators). Nanometer-scale reversible electronic switches are thus provided that can be assembled easily to make cross-bar circuits, which provide memory, logic, and communication functions.
Owner:SAMSUNG ELECTRONICS CO LTD
Bistable molecular mechanical devices with a band gap change activated by an electric field for electronic switching, gating, and memory applications
InactiveUS20020176276A1Fast switching timeEasy and cheapNanoinformaticsSolid-state devicesElectronic switchJunction point
Molecular systems are provided for electric field activated switches, such as a crossed-wire device or a pair of electrodes to which the molecular system is linked by linking moieties. The crossed-wire device comprises a pair of crossed wires that form a junction where one wire crosses another at an angle other than zero degrees and at least one connector species connecting the pair of crossed wires in the junction. The connector species comprises the molecular system, which has an electric field induced band gap change, and thus a change in its electrical conductivity, that occurs via one of the following mechanisms: (1) molecular conformation change; (2) change of extended conjugation via chemical bonding change to change the band gap; or (3) molecular folding or stretching. Nanometer-scale reversible electronic switches are thus provided that can be assembled easily to make cross-bar circuits, which provide memory, logic, and communication functions.
Owner:HEWLETT PACKARD DEV CO LP
New E-field-modulated bistable molecular mechanical device
InactiveUS20020114557A1Enhance the interaction strengthFast switching timeNanoinformaticsSolid-state devicesElectric field modulationSupport group
A molecular system is provided for nanometer-scale reversible electronic and optical switches, specifically, electric field-activated molecular switches that have an electric field induced band gap change that occurs via a molecular conformation change or a tautomerization. Changing of extended conjugation via chemical bonding change to change the band gap is accomplished by providing the molecular system with one rotating portion (rotor) and two or more stationary portions (stators), between which the rotor is attached. The molecular system of the present invention has three branches (first, second, and third branches) with one end of each branch connected to a junction unit to form a "Y" configuration. The first and second branches are on one side of the junction unit and the third branch is on the opposite side of the junction unit. The first branch contains a first stator unit in its backbone, the junction unit comprises a second stator unit, and the first branch further contains a rotor unit in its backbone between the first stator unit and the second stator unit. The second branch includes an insulating supporting group in its backbone for providing a length of the second branch substantially equal to that of the first branch, wherein the rotor unit rotates between two states as a function of an externally-applied field.
Owner:SAMSUNG ELECTRONICS CO LTD
Methods and devices for measurements using pump-probe spectroscopy in high-q microcavities
InactiveUS20090237666A1Improve Sensing PerformanceRadiation pyrometryInterferometric spectrometrySpectroscopyPump probe
The use of optical microcavities, high-Q resonators and slow-light structures as tools for detecting molecules and probing conformations and measuring polarizability and anisotropy of molecules and molecular assemblies using a pump-probe approach is described. Resonances are excited simultaneously or sequentially with pump and probe beams coupled to the same microcavity, so that a pump beam wavelength can be chosen to interact with molecules adsorbed to the microcavity surface, whereas a probe beam wavelength can be chosen to non-invasively measure pump-induced perturbations. The induced perturbations are manifest due to changes of resonance conditions and measured from changes in transfer characteristics or from changes of the scattering spectra of a microcavity-waveguide system. The perturbations induced by the pump beam may be due to polarizability changes, changes in molecular conformation, breakage or formation of chemical bonds, triggering of excited states, and formation of new chemical species. Furthermore, heat may be generated due to absorption of the pump beam. Furthermore, the use resonant modes with different states of polarization allows for measurements of polarizability and its anisotropy in samples interacting with the optical device.
Owner:PRESIDENT & FELLOWS OF HARVARD COLLEGE
Hyperbranched polyester lithium ion battery gel electrolyte and preparation method thereof
InactiveCN101814628AImprove ionic conductivityModerate mechanical strengthFinal product manufactureElectrolyte accumulators manufactureInternal resistanceOxygen
The invention relates to a hyperbranched polyester lithium ion battery gel electrolyte and a preparation method thereof. The gel electrolyte is formed by mixed liquor prepared from 5-30 percent by mass of hyperbranched photopolymer resin, 5-25 percent by mass of cross-linking agent, 1-10 percent by mass of initiator, 20-50 percent by mass of plasticizer, 20-50 percent by mass of lithium salt and the like by using a radiation crosslinking method or a heating crosslinking method and the like. In the invention, the hyperbranched structure of a hyperbranched polyester can effectively prevent chain segments from being crystallized, whereas the molecular conformation similar to a spheric shape can increase the free volume of the polyester; bigger space and fewer -COO- and ether bond structures among branch points of the hyperbranched polyester have very strong interreaction with oxygen in the carbonic ester plasticizer, and therefore, a large amount of liquid electrolyte can be contained, and the gel electrolyte has very high dissolving capacity on salts, which is beneficial to ionic migration and the increase of electrical conductivity so that a lithium ion battery prepared from the hyperbranched polyester lithium ion battery gel electrolyte has long service life, small internal resistance, better specific energy, simple preparation process and no pollution.
Owner:ZHANJIANG NORMAL UNIV
Molecular mechanical devices with a band gap change activated by an electric field for optical switching applications
InactiveUS6763158B1Fast switching timeEasy and cheapNanoinformaticsDigital storageMolecular physicsElectric field
Molecular systems are provided for electric field activated switches, such as optical switches. The molecular system has an electric field induced band gap change that occurs via one of the following mechanisms: (1) molecular conformation change; (2) change of extended conjugation via chemical bonding change to change the band gap; or (3) molecular folding or stretching. Nanometer-scale reversible optical switches are thus provided that can be assembled easily to make a variety of optical devices, including optical displays.
Owner:HEWLETT PACKARD DEV CO LP
Methods of eliciting broadly neutralizing antibodies targeting HIV-1 gp41
The present invention is directed to the induction and characterization of a humoral immune response targeting "entry-relevant" gp41 structures. In its broadest aspect, the present invention is directed to methods of raising a neutralizing antibody response to a broad spectrum of HIV strains and isolates. The present invention targets particular molecular conformations or structures that occur at the cell surface of HIV during viral entry into host cells. Such a humoral response can be generated in vivo as a prophylactic measure in individuals to reduce or inhibit the ability of HIV to infect uninfected cells in the individual's body. Such a response can also be employed to raise antibodies against "entry relevant" gp41 structures. These antibodies can be employed for therapeutic uses, and as tools for further illuminating the mechanism of HIV cell entry.
Owner:UNITED STATES OF AMERICA +1
Methods of eliciting broadly neutralizing antibodies targeting HIV-1 gp41
The present invention is directed to the induction and characterization of a humoral immune response targeting “entry-relevant” gp41 structures. In its broadest aspect, the present invention is directed to methods of raising a neutralizing antibody response to a broad spectrum of HIV strains and isolates. The present invention targets particular molecular conformations or structures that occur at the cell surface of HIV during viral entry into host cells. Such a humoral response can be generated in vivo as a prophylactic measure in individuals to reduce or inhibit the ability of HIV to infect uninfected cells in the individual's body. Such a response can also be employed to raise antibodies against “entry relevant” gp41 structures. These antibodies can be employed for therapeutic uses, and as tools for further illuminating the mechanism of HIV cell entry.
Owner:UNITED STATES OF AMERICA +1
Bistable molecular mechanical devices with a middle rotating segment activated by an electric field for electronic switching, gating, and memory applications
InactiveUS20040066677A1Fast switching timeEasy and cheapFuel cell heat exchangeOrganic chemistryElectronic switchCrossover switch
A molecular system is provided for electric field activated switches, such as a crossed-wire device or a pair of electrodes to which the molecular system is linked by linking moieties. The crossed-wire device comprises a pair of crossed wires that form a junction where one wire crosses another at an angle other than zero degrees and at least one connector species connecting the pair of crossed wires in the junction. The connector species comprises the molecular system, which has an electric field induced band gap change, and thus a change in its electrical conductivity, that occurs via one a molecular conformation change, based on a rotor / stator construction of the molecular system, involving a rotating portion (rotor) connected between to stationary portions (stators). Nanometer-scale reversible electronic switches are thus provided that can be assembled easily to make cross-bar circuits, which provide memory, logic, and communication functions.
Owner:SAMSUNG ELECTRONICS CO LTD
Extraction method of Cinnamomum camphora seed oil by ultrasound-assisted compound enzyme
InactiveCN102453601AImprove the extraction effectShorten the production cycleFatty-oils/fats productionUltrasound cavitationPlant cell
The invention discloses an extraction method of Cinnamomum camphora seed oil by ultrasound-assisted compound enzyme. The technical scheme comprises steps of: drying Cinnamomum camphora seeds, crushing, adding a buffer, adding compound enzyme, adding petroleum ether, carrying out ultrasonic treatment, separating grease, recovering petroleum ether, carrying out vacuum drying, and acquiring the Cinnamomum camphora seed oil. By the utilization of ultrasound cavitation, high-frequency oscillation, emulsification and diffusion effects, plant cell walls can be broken so as to accelerate diffusion and releasing of grease components and make the grease components fully contact with a solvent for grease extraction. In addition, by the ultrasonic treatment, enzyme molecular conformation may be changed and catalytic activity of compound enzyme is raised. Therefore, the extraction effect of the Cinnamomum camphora seed oil is enhanced. By the adoption of the method provided by the invention, the recovery rate of the Cinnamomum camphora seed oil can reach 36%. The invention can provide a Cinnamomum camphora seed oil raw material for relative industries.
Owner:SHAANXI UNIV OF TECH
Electric-field actuated chromogenic materials based on molecules with a rotating middle segment for applications in photonic switching
InactiveUS20030012484A1Fast switching speedSmooth switchingNanoinformaticsSolid-state devicesPhotonicsChromogenic
A molecular system is provided for electric field activated switches, such as optical switches. The molecular system has an electric field induced band gap change that occurs via a molecular conformation change, based on a rotor / stator construction of the molecular system, involving a rotating portion (rotor) connected between two stationary portions (stators). Nanometer-scale reversible optical switches are thus provided that can be assembled easily to make a variety of optical devices, including optical displays.
Owner:HEWLETT PACKARD DEV CO LP
Complex system reaction access calculating system and implementing method thereof
ActiveCN104021265AIncrease productivityImprove responseSpecial data processing applicationsReaction coordinateCritical structure
The invention belongs to the technical field of chemical and molecular structure information, and provides a complex system reaction access calculating system and an implementing method thereof. The calculating system comprises a molecular simulation and quantum chemistry calculating module, a molecular conformation searching module and a refined calculation and application module. A molecular structure simplified pattern reaction system is constructed, a characteristic reaction path is analyzed, and relevant key structures comprising ground states and transient states of reactions of a target reaction system are searched for. Based on a low-dimensional characteristic potential energy surface in a pattern system, a reaction network access is set up, and reaction coordinates of local minimum points and saddle points of a potential energy surface in a network are recorded; based on information of the reaction coordinates, molecule grafting restoring the pattern system (simple) to the target system (complex) is achieved. Through the molecular conformation searching technology, under the condition of characteristic coordinate restraint, a conformation set of reaction objects of the target system is searched for, and molecules in the conformation set are structurally optimized; effective ground state and transient state molecular structures of the reaction objects are collected according to the reaction characteristics of the characteristic coordinates on the reaction path.
Owner:SHANGHAI JIAO TONG UNIV
Application of 1,4-dihydropyridine derivative as NO fluorescent probe
The invention relates to the field of probes, in particular to an application of a 1,4-dihydropyridine derivative as a NO fluorescent probe. According to the invention, based on the specific effect of the 1,4-dihydropyridine derivative and nitric oxide, (aromatization, resulting in the changes of electronic structure distribution and molecular conformation in the probes) features of corresponding pyridine derivatives are produced, to realize the response of the fluorescent probe to nitric oxide. Based on the changes of the fluorescence in nature before and after the detection (changes in fluorescence emission intensity, fluorescence emission wavelength, fluorescence emission service life and the like), the detection for the nitric oxide is realized.
Owner:NAT INST FOR FOOD & DRUG CONTROL
E-field-modulated bistable molecular mechanical device
InactiveUS6751365B2Fast switching timeEasy and cheapNanoinformaticsSolid-state devicesElectric field modulationMolecular switch
Owner:SAMSUNG ELECTRONICS CO LTD
Method for improving activity and stability of immobilized lipase
InactiveCN101736000AHigh catalytic activityImprove catalytic stabilityOn/in organic carrierOn/in inorganic carrierHalf-lifeKetone
The invention provides a method for improving the activity and stability of immobilized lipase. The adsorption immobilized lipase is soaked in a polar organic solvent which can change the molecular conformation of the lipase and the adsorption state of a carrier on the lipase and serves as a treating agent for appropriate time to obtain the lipase with high activity and stability; and an immobilized carrier is selected from 40-mesh active carbon, silica gel or DM-130resin, and an organic compound is one of alcohol, ketone and ester and serves as the immobilized enzyme treating agent. The adsorption immobilized lipase is soaked in the organic compound treating agent, and the soaked immobilized lipase undergoes separating collection and drying treatment to obtain the immobilized lipase with improved catalytic activity and stability. The treated immobilized lipase can be used for transesterification, synthesis or hydrolysis of grease, and compared with a reference immobilized lipase, the enzyme activity is improved by 1.5 to 2.5 times, the half life period is prolonged by 3 to 8 hours, and the immobilized lipase can be used for 3 to 6 times more for catalyzing the transesterification of soybean oil. And by the method, the use performance of the immobilized enzyme is improved.
Owner:DALIAN POLYTECHNIC UNIVERSITY
Molecular conformation change-based sequence measuring method
InactiveCN105092647ARapid SequencingMaterial analysis by electric/magnetic meansMolecular motorA-DNA
The invention relates to molecular conformation change-based sequence measuring method which can be used for detecting sequences of DNA, RNR, polypeptides or proteins. The method for detecting the sequence of the DNA comprises the following steps: connecting a graphene nanopore device into a circuit; fixing a molecular motor above or in each graphene nanopore; forming a compound body by the molecular motor and DNA template molecules; adding a solution containing single basic groups; when each basic group is compounded into a DNA molecule template by the molecular motor, generating the change of conformation of the molecular motor to influence ionic current passing through each nanopore, wherein the change of the conformation of the molecular motor, caused by each basic group, is different; and analyzing the sequence of the DNA by detecting electrical signals generating when DNA penetrates through the graphene nanopore.
Owner:CHONGQING INST OF GREEN & INTELLIGENT TECH CHINESE ACADEMY OF SCI
Method for detecting macromolecular conformational change and binding information
InactiveUS20030165431A1Easy to measureImprove signal-to-noise ratioDispersion deliveryMicrobiological testing/measurementComputer scienceResonance signal
An active-nucleus sensor or a functionalized active-nucleus complex sensor is utilized in a method for detecting conformational change and binding event information in a targeted molecule, wherein the sensor does not participate in the conformational change or binding event. The method directly or indirectly detects the occurrence, deletion, shift, or any measurable change in a magnetic resonance signal with a unique magnetic resonance property from the active-nuclei, frequently hyperpolarized 129Xe.
Owner:RGT UNIV OF CALIFORNIA
Bistable molecular mechanical devices with a middle rotating segment activated by an electric field for electronic switching, gating, and memory applications
InactiveUS6920260B2Fast switching timeEasy and cheapOrganic chemistryFuel cell heat exchangeElectronic switchElectrical resistivity and conductivity
A molecular system is provided for electric field activated switches, such as a crossed-wire device or a pair of electrodes to which the molecular system is linked by linking moieties. The crossed-wire device comprises a pair of crossed wires that form a junction where one wire crosses another at an angle other than zero degrees and at least one connector species connecting the pair of crossed wires in the junction. The connector species comprises the molecular system, which has an electric field induced band gap change, and thus a change in its electrical conductivity, that occurs via one a molecular conformation change, based on a rotor / stator construction of the molecular system, involving a rotating portion (rotor) connected between to stationary portions (stators). Nanometer-scale reversible electronic switches are thus provided that can be assembled easily to make cross-bar circuits, which provide memory, logic, and communication functions.
Owner:SAMSUNG ELECTRONICS CO LTD
Method for preparing thermoplastic resin
The invention discloses a method for preparing thermoplastic resin, which comprises the following steps of: mixing acrylate rubber and chlorinated polyethylene rubber in a weight ratio of 9:1 to 3:7, adding hard monomer, wherein the ratio of the weight of the hard monomer to the total weight of the acrylate rubber and the chlorinated polyethylene rubber is 8:2 to 5:5; and polymerizing the mixture in a polymerization way of interpenetrating polymer networks to obtain the thermoplastic resin. The method bonds two kinds of colloidal particles during polymerization according to properties of two kinds of rubber particles ASA and ACS and obtains rubber with different particle sizes of colloidal particles and different molecular conformations through emulsion polymerization or suspension polymerization so as to obtain products with optimal cost performance.
Owner:安丘市东海塑业有限公司
DNA molecular logic gate based on DNA Origami and construction method thereof
ActiveCN107124178AGuaranteed normal operationLogic circuits characterised by logic functionHybridisationNano-deviceGold particles
The invention belongs to the field of molecular computation, and particularly relates to a DNA molecular logic gate based on DNA Origami and a construction method thereof. The logic gate comprises an input signal, a signal converter and an output signal; the signal converter includes a DNA Origami template, a helper chain positioned on the DNA Origami template, and a DNA / AuNP conjugate that can be identified and connected with the helper chain; and the output signal is provided for releasing the DNA / AuNP conjugate from the DNA Origami template. According to the DNA molecular logic gate based on the DNA Origami and the construction method thereof disclosed by the invention, the selective and dynamic release to gold particles is implemented by a special DNA signal on the DNA Origami, and thus, the operation of the logic gate is implemented; moreover, by employing a gold particle dimer connected by the DNA chain, the operation of simultaneously imputing three input chains for the logic gate is implemented. The DNA molecular logic gate and the construction method thereof provide a concept to construct complex molecular circuit and nano device; and through combining with various nano engineering strategies, the DNA molecular logic gate and the construction method thereof can be used for assembling a large programmable structure, and also pave a road for sensitivity detection of various molecular conformations.
Owner:NORTH CHINA ELECTRIC POWER UNIV (BAODING)
Low coherence enhanced backscattering tomography and techniques
ActiveUS20130063727A1Reduce coherenceEnhanced advantageMaterial analysis by optical meansDiagnostic recording/measuring3d imageNuclear morphology
A low coherence enhanced backscattering tomography (LEBT) method is disclosed for depth-selective sensing of the superficial layer of tissue. 3D images of the microarchitecture and molecular conformation of the superficial layer of tissue are obtained. The method combines the high resolution advantage of low coherence light and the high sensitivity advantage of light scattering to tissue structure and composition. Intact tissue can be examined without the need of excision or processing. The method can be applied in in situ measurements. According to the method, 3D images of the nuclear morphology and cellular structure for the superficial layer of the tissue are generated; this is particularly useful in detecting cancer and precancer at the earliest stage of carcinogenesis.
Owner:FAIRFIELD UNIVERSITY
Computer medicine screening method based on BFGS algorithm
PendingCN110459263ASmall molecular weightPotential for oral administrationInstrumentsMolecular structuresData setMacromolecular docking
The invention discloses a computer medicine screening method based on a BFGS algorithm. The method comprises the following steps of 1) database establishment, wherein a data set cluster composed of 30,000-40,000 marine micromolecules is subjected to searching loop matching to form a micromolecule library with the similarity of 0-1; 2) database pre-processing, wherein micromolecule conformations, with the similarity of 1, in the micromolecule library obtained in step 1) are deleted; 3) molecular docking, wherein ligands are placed at active loci of a receptor, so that multiple ligands and one receptor are in molecular docking; 4) searching for conformations, wherein the BFGS algorithm is used for searching for the conformations, and when newly-generated conformations are identical to initial conformations or preset difference values of the newly-generated conformations and the initial conformations are smaller than or equal to 0.0001, searching for the conformations is stopped. According to the computer medicine screening method, by optimizing the algorithm, the time of searching for the low-energy conformations of the ligands and the receptor which are combined at the active loci of the receptor in the algorithm is shortened, and the effect and efficiency of virtual screening of a micromolecule database based on the method are improved.
Owner:QINGDAO NAT LAB FOR MARINE SCI & TECH DEV CENT +1
Construction method and application of three-dimensional quantitative structure-activity relationship model of bcl-2 protein inhibitor
InactiveCN102262715APredicted binding constantFast Prediction of Binding ConstantsSpecial data processing applicationsEntity–relationship modelHigh-Throughput Screening Methods
The invention relates to a method for constructing a three-dimensional quantitative structure activity relationship model of a B-cell lymphoma-2 (Bcl-2) protein inhibitor and application of the method and belongs to the technical field of biological information. The method comprises the following steps of: according to the known small molecule inhibitor, establishing the three-dimensional quantitative structure activity relationship model of the Bcl-2 protein inhibitor by using a three-dimensional quantitative structure activity relationship technology; and further improving the accuracy of the model by using technologies for analyzing molecular similarity, optimizing molecular conformation, optimizing parameters and the like. By the invention, the Bcl-2 protein binding constants of an active unknown compound can be quickly predicted, and clues of the active compound are acquired within short time. Compared with the conventional high-throughput screening technology, the invention has the advantages of greatly improving screening efficiency and reducing cost.
Owner:SHANDONG UNIV
Solid nanopore-fluorescence resonance energy transfer composite detection method and system
PendingCN113533275ADistinguishing subtle conformational differencesPrecise explorationFluorescence/phosphorescenceMaterial electrochemical variablesBio moleculesChemical physics
The invention discloses a solid nanopore-fluorescence resonance energy transfer composite detection method. The method is characterized in that analyte molecules simultaneously marked by paired fluorophores are focused on a plane in which a nanopore is positioned by adopting a confocal microscope, and an analyte passes through the nanopore under the driving of an electric field and simultaneously passes through a focal plane of the confocal microscope; and when fluorescence resonance energy transfer occurs, an excitation light signal is captured by a confocal microscope and converted into an electric signal, and the electric signal is processed by a computer and is combined with an electric signal of analyte molecules passing through the nanopore so that molecular conformation information is compositely analyzed. The invention also discloses a solid nanopore-fluorescence resonance energy transfer composite detection system. The system and the detection method disclosed by the invention can be used for more effectively and further distinguishing fine conformation differences in the biomolecules or among the biomolecules, and are suitable for independent detection of various analytes and mixed detection of different analytes.
Owner:SOUTHEAST UNIV
Albumin nano-particle preparation of donor-receptor type fluorescent molecule containing aggregation-induced emission group in near infrared II region
ActiveCN110787305AGood water solubilityEfficient light-to-heat conversion capabilityPowder deliveryEnergy modified materialsInfraredLight energy
The invention belongs to the field of pharmaceutical preparation, and relates to an albumin nano-particle preparation of a donor-receptor type fluorescent molecule containing an aggregation-induced emission group in a near infrared II region. By adopting an emulsifying high-pressure homogenization method, bovine serum albumin, human serum albumin or recombinant human serum albumin and the donor-receptor type fluorescent molecule containing the aggregation-induced emission group are processed so that nano-particles are prepared; albumin is bonded with the fluorescent molecule , so that rotation in the molecule is limited, molecular conformation is changed, and twisted intramolecularcharge transfer and aggregation-induced emission effect are changed, so that the nano-particle preparation having good fluorescence imaging and photothermal conversion is obtained. The nano-particle preparation can emit fluorescence in the near infrared II region under irradiation of infrared light, and a part of light energy is transformed into heat energy, and an image-guided photothermal therapy for cancers is realized. The albumin nano-particle preparation can be used for preparing a medicine for conducting fluorescence imaging and photothermal therapy in the near infrared II region (NIR-II, 1000nm to 1700nm), and the aim of integration of diagnosis and treatment is fulfilled.
Owner:FUDAN UNIV
Electric-field actuated chromogenic materials based on molecules with a rotating middle segment for applications in photonic switching
InactiveUS20040013345A1Fast switching speedSmooth switchingNanoinformaticsSolid-state devicesPhotonicsChromogenic
A molecular system is provided for electric field activated switches, such as optical switches. The molecular system has an electric field induced band gap change that occurs via a molecular conformation change, based on a rotor / stator construction of the molecular system, involving a rotating portion (rotor) connected between two stationary portions (stators). Nanometer-scale reversible optical switches are thus provided that can be assembled easily to make a variety of optical devices, including optical displays.
Owner:SAMSUNG ELECTRONICS CO LTD
Methods and apparatus for molecular data storage, retrieval and analysis
InactiveUS20070004047A1Microbiological testing/measurementNanoinformaticsDivalent metal ionsBase Pair Mismatch
In various aspects, the invention provides molecular systems for storing and retrieving information. In some embodiments, polymers capable of selectively binding metal ions, such as nucleic acids, are used to record information in the form of a particular molecular conformation. Electrochemical assay methods employing nanopores may be used to read and write information using such polymeric media. In some embodiments, information may be recorded in a nucleic acid polymer by magnetically modulating the translocation of the nucleic acid through a channel in a medium, while simultaneously modulating the electrostatic potential across the channel. In this way, the incorporation of a divalent metal ion in the nucleic acid duplex may be modulated to store information. In an alternative aspect, the invention provides analogous processes for detecting a base pair mismatch in a nucleic acid polymer.
Owner:UNIVERSITY OF SASKATCHEWAN
Method and system for determining a conformation of a molecule using a high-performance binary optimizer
ActiveUS20200143910A1Solve the real problemEasy to adaptQuantum computersMolecular entity identificationComputational physicsStatistical physics
A method is disclosed for determining a conformation of a molecule on at least one degree of freedom to optimize according to at least one molecular objective function, the method comprising generating using at least one corresponding degree of freedom to optimize a connected rigid bodies representation for the molecule by identifying a plurality of groups of atoms, generating a data structure representative of the connected rigid bodies representation generating at least one neighborhood for each generated neighborhood of the at least one generated neighborhoods, generating a corresponding binary optimization problem using the data structure, providing the generated corresponding binary optimization problem to a high-performance binary optimizer, obtaining a solution from the high-performance binary optimizer; and providing at least one corresponding solution.
Owner:1QB INFORMATION TECHNOLOGIES INC
Evaluation method for simulating oil-water interface characteristics of alkylbenzene sulfonate surfactant based on molecular dynamics
PendingCN111028891AThe evaluation result is accurateEvaluation time period is shortChemical property predictionMolecular entity identificationActive agentOil phase
The invention discloses an evaluation method for simulating oil-water interface characteristics of an alkylbenzene sulfonate surfactant based on molecular dynamics. The method comprises establishing amolecular structure model of alkylbenzene sulfonate by adopting software; then, performing quantum chemistry calculation by utilizing software to obtain optimized molecular conformation and all-atomic structure charge parameters of alkylbenzene sulfonate; optimizing the molecular structure of alkylbenzene sulfonate to obtain optimized molecular topological structure parameters of the bond length,the bond angle and the dihedral angle; establishing a system model of oil-phase molecules, water molecules and alkylbenzene sulfonate by utilizing molecular accumulation software; and finally carrying out molecular dynamics calculation on a simulation system by utilizing molecular dynamics calculation software to evaluate the oil-water interface characteristics of alkylbenzene sulfonate. According to the method, the oil-water interface microcosmic action mechanism of the alkylbenzene sulfonate surfactant for chemical flooding can be clarified from molecular and atomic scales, and certain theoretical guidance is provided for application of alkylbenzene sulfonate in the field of oilfield chemical flooding.
Owner:NANJING POLYTECHNIC INSITUTE
Sequences of mutants of Tat protein of human immunodeficiency virus type 1 and use thereof
InactiveCN102206255ABlock biological functionEfficient expressionMicrobiological testing/measurementMicroorganism based processesAntigenTranscriptional transactivation
The invention relates to the technical field of biomedical engineering. Human immunodeficiency virus (HIV)-1 trans-activator of transcription (Tat) is an important regulatory protein in the early stage of HIV-1 infection. The invention aims to screen sequences of HIV-1 Tat protein mutants which are relatively stable in molecular conformation and can arouse strong immunoreactions. The amino acid sequences of the HIV-1 Tat protein mutants provided by the invention are represented by SEQ ID No.2, SEQ ID No.4 and SEQ ID No.6. The rabbit antiserums of the three Tat mutant proteins all can undergo specific reactions of the full-length Tat protein of HIV-1, the reactivity is high, and thus, the three Tat mutant proteins can be used for preparing components of anti-HIV infection polypeptide medicines or used as candidate antigens for preparing HIV Tat vaccines.
Owner:SECOND MILITARY MEDICAL UNIV OF THE PEOPLES LIBERATION ARMY
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