89 results about "Molecular conformation" patented technology

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.

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.

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.

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.

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.

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.

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.

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.

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.

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.

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.

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.

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.

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.