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81.
David Casanova 《Journal of computational chemistry》2013,34(9):720-730
The restricted active space configuration interaction (RASCI) formalism with the hole and particle truncation of the wavefunction, that is, RASCI(h,p), holds very nice properties such as balanced treatment of ground and low‐lying excited states, spin‐completeness, large flexibility of the wavefunction, and moderate computational cost. In this article, I present a new implementation of the RASCI(h,p) method using a general algorithm based on the integral‐driven approach. The new implementation allows to choose any electronic configuration as the single reference in combination with an excitation operator with any number of ionization, electron attachment, or spin‐flip (SF) excitations. The applicability and good performance of the new computational code is tested in the ground state calculation of water molecule with increasingly large active spaces and up to the full‐CI limit, the calculation of all‐trans linear polyenes with variable number of SF excitations, and the low‐lying states of fluorine molecule with a double‐ionization potential operator. © 2012 Wiley Periodicals, Inc. 相似文献
82.
Dr. Toby Passioura Prof. Dr. Hiroaki Suga 《Chemistry (Weinheim an der Bergstrasse, Germany)》2013,19(21):6530-6536
Noncanonical peptides occur frequently in Nature, and often display high bioactivity. However, the lack of tractable systems for the synthesis of diverse libraries of such peptides has thus far hampered their development as drugs. Genetic reprogramming techniques, in which noncanonical amino acids may be incorporated into peptides, have largely removed this limitation. This Concept article outlines the development of these techniques with an emphasis on drug discovery. 相似文献
84.
85.
《Arabian Journal of Chemistry》2022,15(9):104080
In the present study, a dual recognition strategy for ultrasensitive detection of Hg2+ was successfully developed for the first time based on aptamer functionalized sulfur quantum dots (Apt-SQDs). The developed Apt-SQDs not only retained the good fluorescence properties of quantum dots but also overcame the problem of poor selectivity of SQDs for heavy metal ions. This system used the dual recognition strategy, including the combination of Sx2? and Hg2+ and T-Hg2+-T structures to excellently identify and capture Hg2+, and an ultrahigh sensitivity fluorescent aptasensor was fabricated. The fluorescent aptasensor had a good response to Hg2+ at concentrations ranging of 10?15 to 10?7 M with an ultralow limit of detection of 0.3 fM, and the response to other metal ions was far less than that to Hg2+. It was successfully applied to detect Hg2+ in nearby environmental water samples (tap water, lake water and river water) with a good recovery rate. Moreover, portable test papers that would be useful for Hg2+ monitoring in environmental water were designed. The dual recognition strategy not only achieves ultrasensitive fluorescent detection of Hg2+ but also provides a new insight into the further expansion of the application of SQDs. 相似文献
86.
In light of the generator polynomials of constacyclic codes over finite chain rings, the depth spectrum of constacyclic codes can be determined if (n,p)=1. 相似文献
87.
A q‐ary code of length n, size M, and minimum distance d is called an code. An code with is said to be maximum distance separable (MDS). Here one‐error‐correcting () MDS codes are classified for small alphabets. In particular, it is shown that there are unique (5, 53, 3)5 and (5, 73, 3)7 codes and equivalence classes of (5, 83, 3)8 codes. The codes are equivalent to certain pairs of mutually orthogonal Latin cubes of order q, called Graeco‐Latin cubes. 相似文献
88.
89.
Multiplexed Determination of Amino‐Terminal Pro‐B‐Type Natriuretic Peptide and C‐Reactive Protein Cardiac Biomarkers in Human Serum at a Disposable Electrochemical Magnetoimmunosensor 下载免费PDF全文
Berta Esteban‐Fernández de Ávila Vanessa Escamilla‐Gómez Valentina Lanzone Susana Campuzano María Pedrero Dario Compagnone José M. Pingarrón 《Electroanalysis》2014,26(2):254-261
A rapid magnetoimmunosensor for the simultaneous determination of two cardiac biomarkers, amino‐terminal pro‐B‐type natriuretic peptide (NT‐proBNP) and C‐reactive protein (CRP), in human serum is described. Specific capture antibodies were covalently immobilized onto carboxylic acid‐modified magnetic beads. The quantification of NT‐proBNP and CRP was performed by using indirect competitive and sandwich configurations, respectively, and horseradish peroxidase‐labeled tracers. The use of dual screen‐printed carbon electrodes allowed the achievement of simultaneous independent amperometric readout for each cardiac biomarker. The developed methodology showed very low limits of detection (0.47 ng mL?1). An international standard for CRP serum spiked with NT‐proBNP was analyzed to evaluate the usefulness of the magnetoimmunosensor. 相似文献
90.
Nanxi Wang Dr. Yue Li Dr. Wei Niu Dr. Ming Sun Dr. Ronald Cerny Prof. Qingsheng Li Prof. Jiantao Guo 《Angewandte Chemie (International ed. in English)》2014,53(19):4867-4871
A safe and effective vaccine against human immunodeficiency virus type 1 (HIV‐1) is urgently needed to combat the worldwide AIDS pandemic, but still remains elusive. The fact that uncontrolled replication of an attenuated vaccine can lead to regaining of its virulence creates safety concerns precluding many vaccines from clinical application. We introduce a novel approach to control HIV‐1 replication, which entails the manipulation of essential HIV‐1 protein biosynthesis through unnatural amino acid (UAA*)‐mediated suppression of genome‐encoded blank codon. We successfully demonstrate that HIV‐1 replication can be precisely turned on and off in vitro. 相似文献