INTERMOLECULAR PHOSPHORYL GROUP TRANSFER FROM N－（O，O－DⅡSOPROPYL）PHOSPHORYL ASPARAGINE TO TRYPSIN

ＩＮＴＥＲＭＯＬＥＣＵＬＡＲＰＨＯＳＰＨＯＲＹＬＧＲＯＵＰＴＲＡＮＳＦＥＲＦＲＯＭＮ－（Ｏ，Ｏ－ＤⅡＳＯＰＲＯＰＹＬ）ＰＨＯＳＰＨＯＲＹＬＡＳＰＡＲＡＧＩＮＥＴＯＴＲＹＰＳＩＮ￥ＷｅｉＨｕａＺＨＯＵ；ＹｕＦｅｎＺＨＡＯ（Ｂｉｏｏｒｇａｎｉｃｐｈｏｓｐ...     

RUTHENIUM COORDINATION COMPOUNDS WITH POLYPYRIDYL：Ⅱ THE INTERACTION OF RUTHENIUM（Ⅱ）MIXED－LIGAND COORDINATION COMPOUNDS CONTAINING PYRIDO［3，2－f］［1，7］PHENANTHROLINE WITH CALF THYMUS DNA

ＲＵＴＨＥＮＩＵＭＣＯＯＲＤＩＮＡＴＩＯＮＣＯＭＰＯＵＮＤＳＷＩＴＨＰＯＬＹＰＹＲＩＤＹＬ：ⅡＴＨＥＩＮＴＥＲＡＣＴＩＯＮＯＦＲＵＴＨＥＮＩＵＭ（Ⅱ）ＭＩＸＥＤ－ＬＩＧＡＮＤＣＯＯＲＤＩＮＡＴＩＯＮＣＯＭＰＯＵＮＤＳＣＯＮＴＡＩＮＩＮＧＰＹＲＩＤＯ［...     

MODELS FOR π－π INTERACroNS IN “MOLECULARMETALS” IONIZATION ENERGIES，ELECTRONIC STRUCTURE AND THROVGH－SPACE／THROUGH－BOND INTERACTIONS IN ［2，2］ PARACYCLOPHANE

ＭＯＤＥＬＳ　ＦＯＲ　π－π　ＩＮＴＥＲＡＣｒｏＮＳ　ＩＮ　“ＭＯＬＥＣＵＬＡＲＭＥＴＡＬＳ”　ＩＯＮＩＺＡＴＩＯＮ　ＥＮＥＲＧＩＥＳ，ＥＬＥＣＴＲＯＮＩＣ　ＳＴＲＵＣＴＵＲＥ　ＡＮＤ　ＴＨＲＯＶＧＨ－ＳＰＡＣＥ／ＴＨＲＯＵＧＨ－ＢＯＮＤ　ＩＮＴＥＲ...     

OFF－LINE TWO－DIMENSIONAL GAS CHROMATOGRAPHY－MASS SPECTROMETRY FOR ANALYSIS OF ASSENTAL OIL OF MEDICINAL HERB：USE OF ABSORPTION TRAP AS INTERFACE

ＯＦＦ－ＬＩＮＥＴＷＯ－ＤＩＭＥＮＳＩＯＮＡＬＧＡＳＣＨＲＯＭＡＴＯＧＲＡＰＨＹ－ＭＡＳＳＳＰＥＣＴＲＯＭＥＴＲＹＦＯＲＡＮＡＬＹＳＩＳＯＦＡＳＳＥＮＴＡＬＯＩＬＯＦＭＥＤＩＣＩＮＡＬＨＥＲＢ：ＵＳＥＯＦＡＢＳＯＲＰＴＩＯＮＴＲＡＰＡＳＩＮＴＥＲＦＡ...     

STRUCTURAL STUDIES OF A FROM THE POLLEN OF PAPAVER SOMNIFERUM

ＳＴＲＵＣＴＵＲＡＬＳＴＵＤＩＥＳＯＦＡＦＲＯＭＴＨＥＰＯＬＬＥＮＯＦＰＡＰＡＶＥＲＳＯＭＮＩＦＥＲＵＭ￥ＰｉｎｇＭＩＡＯ；ＳｏｎｇＧＡＯａｎｄＳｈｅｎｇＪＩＮ（ＤｅｐａｒｔｍｅｎｔｏｆＣｈｅｍｉｓｔｒｙ，ＰｅｋｉｎｇＵｕｉｖｅｒｓｉｔｙ，Ｂｅｉｊｉ...     

STRUCTURAL EVIDENCE FOR THE METAL ION BRIDGED LIGANDLIGAND INTERACTION：THE X－RAY CRYSTAL STRUCTURE OF ［（2，2＇－BIPYRIDYL）（PHENYLMALONATE）COPPER（Ⅱ）］ TRIHYDRATE

ＳＴＲＵＣＴＵＲＡＬＥＶＩＤＥＮＣＥＦＯＲＴＨＥＭＥＴＡＬＩＯＮＢＲＩＤＧＥＤＬＩＧＡＮＤＬＩＧＡＮＤＩＮＴＥＲＡＣＴＩＯＮ：ＴＨＥＸ－ＲＡＹＣＲＹＳＴＡＬＳＴＲＵＣＴＵＲＥＯＦ［（２，２＇－ＢＩＰＹＲＩＤＹＬ）（ＰＨＥＮＹＬＭＡＬＯＮＡＴＥ）ＣＯＰ...     

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ＧＡＳＰＥＲＭＥＡＴＩＯＮＯＦγ┐Ａｌ２Ｏ３ＭＯＤＩＦＩＥＤＭＥＳＯＰＯＲＯＵＳＣＥＲＡＭＩＣＭＥＭＢＲＡＮＥＸｕＺｈｏｎｇｑｉａｎｇ，ＣｈｅｎＱｉｎｇｌｉｎｇ（ＳｈａｎｇｈａｉＲｅｓｅａｒｃｈＩｎｓｔｉｔｕｔｅｏｆＰｅｔｒｏｃｈｅｍｉｃａｌＴｅｃｈ...     

AC IMPEDANCE STUDY OF HYDROGEN STORAGE ELECTRODES

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ＳＰＥＣＴＲＯＰＨＯＴＯＭＥＴＲＩＣＤＥＴＥＲＭＩＮＡＴＩＯＮＯＦＣＡＴＩＯＮＩＣＳＵＲＦＡＣＴＡＮＴＳＢＡＳＥＤＯＮＩＲＯＮ（ＩＩＩ）－ＣＨＲＯＭＥＡＺＵＲＯＬＳＣＯＭＰＬＥＸ￥ＭｉｎｇＳＯＮＧａｎｄＳｈｕＱｕａｎＬＩＡＮＧ（Ｉｎｓｔｉｔｕｔｅｏｆ...     

HEATS OF INTERACTION OF ORGANIC BASES WITH POLYMER PROTECTED CATALYST PVC－AlCl＿3

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Evolution of cluster models in quantum chemical analysis of spectroscopic characteristics of surface structures on oxides at the IOC RAS

The author’s review integrates and analyzes the results of quantum chemical studies on a common topic carried out at the Institute of Organic Chemistry of the RAS (IOC RAS). The cluster approaches to quantum chemical analysis of adsorption and heterogeneous catalysis processes on various oxides proposed and developed at the IOC RAS are characterized. The approaches comprise the construction of covalent and also neutral and partially charged ionic cluster models of surface active sites and their complexes with molecules and free radicals. Examples of chemically acceptable cluster models specially designed for the review and calculated by density functional theory (DFT) with the B3LYP functional and the 6-311G(d) basis set clearly demonstrate the efficiency of using such models to retrieve structure-chemical information from radiospectroscopic, ultraviolet, and infrared spectra of simple molecules and free radicals adsorbed on oxide systems that are widely used in practice.     

Recent Developments in Targeting RAS Downstream Effectors for RAS-Driven Cancer Therapy

Aberrant activity of oncogenic rat sarcoma virus (RAS) protein promotes tumor growth and progression. RAS-driven cancers comprise more than 30% of all human cancers and are refractory to frontline treatment strategies. Since direct targeting of RAS has proven challenging, efforts have been centered on the exploration of inhibitors for RAS downstream effector kinases. Two major RAS downstream signaling pathways, including the Raf/MEK/Erk cascade and the phosphatidylinositol-3-kinase (PI3K) pathway, have become compelling targets for RAS-driven cancer therapy. However, the main drawback in the blockade of a single RAS effector is the multiple levels of crosstalk and compensatory mechanisms between these two pathways that contribute to drug resistance against monotherapies. A growing body of evidence reveals that the sequential or synergistic inhibition of multiple RAS effectors is a more convenient route for the efficacy of cancer therapy. Herein, we revisit the recent developments and discuss the most promising modalities targeting canonical RAS downstream effectors for the treatment of RAS-driven cancers.     

Synthesis and DNA binding behavior of a naphthalene diimide derivative carrying two dicobalt hexacarbonyl complexes as an infrared DNA probe

Naphthalene diimide having two dicobalt hexacarbonyl complexes at its substituent termini 1 was designed and synthesized as an infrared probe for double stranded DNA. Spectrophotometric and viscometric DNA binding studies of 1 and naphthalene diimide having two acetylene moieties 2 as its precursor were carried out to prove their threading intercalation binding modes. Fourier Transform Infrared Reflection-Absorption Spectroscopy (FT-IR RAS) measurements were achieved for DNA-immobilized on a gold surface before and after hybridization with complementary DNA strand. Distinguished absorption peaks assigned to the dicobalt hexacarbonyl complexes were obtained in the case of the formation of double stranded DNA after treatment with 1. This result revealed that 1 can be used as an infrared probe for monitoring double stranded DNA.     

The unrestricted natural orbital-restricted active space method: methodology and implementation

The full configuration interaction method in the space of fractionally occupied unrestricted natural orbitals (UNO-CAS method) is extended to excited states as well as to strongly correlated and reactive systems with large active spaces. This is accomplished by␣using restricted active space (RAS) wave functions introduced by Olsen et al. [(1988) J Chem Phys 89: 2185] and using the UNOs without the expensive orbital optimization step. In RAS, the space of active orbitals is subdivided into three groups: a group with essentially doubly occupied orbitals (RAS1), the usual CAS space (RAS2), and a space with weakly occupied active orbitals (RAS3). We select these spaces on the basis of the occupation numbers of the UNOs. All possible electron distributions are allowed in the usual CAS space, but the number of vacancies is limited in RAS1 and the number of electrons is limited in RAS3. We discuss an efficient algorithm for generating a RAS wave function. This is based on the Handy-Knowles determinantal expansion with an addressing scheme adopted for the restricted expansion. Results for both ground and excited states of azulene and free base porphyrin are presented. Received: 16 July 1998 / Accepted: 7 August 1998 / Published online: 19 October 1998     

Identification of the Metabolites of Angiotensin II (1-8) in MES-13 Cells by a Simple NanoLC-MS-MS System: A Preliminary Platform

The renin-angiotensin system (RAS) participates in regulating the body fluid, such as angiotensin II (1-8), and plays an important role in blood pressure control. In RAS, angiotensin II (1-8) is the major effector but other angiotensins may also mediate the actions of the RAS. In this study, a simple method is proposed for analysis of the metabolites of angiotensin II (1-8). Experimental data was acquired by a nanoLC system connected with quadruple time-of-flight (Q-TOF) mass spectrometry. The flow rate of this method was at 400 nL/min, and this nanoliter level flow rate would lower the consumption of organic solvents.     

Development and Application of Instrumental Methods for Strain Analysisof Semiconductor Layers and Devices

 Strain effects on semiconductor layers were studied by means of optical spectroscopic techniques with a device developed especially for the study of layered structures and microstructures. Raman, modulated photoreflectance and reflectance anisotropy spectroscopy (RAS) were applied. Measurements were performed on elemental semiconductors (Si), semiconductor alloys (Si–Ge) and III–V semiconductor compounds (GaAs). By application of RAS, strains lower than 10⁻⁴ could be resolved, which is at least one order of magnitude lower than those observable with Raman and modulated reflectance techniques. The RAS spectra of layers strained along either the [010] or [011] direction showed a derivative-like structure at E₁-gap energies, which increased linearly and very quickly with increasing strain. The dependence of this spectral feature on applied strain was used to evaluate strain-dependent effects. This behaviour strongly suggests that RAS can be applied for the optical characterisation of strain in semiconductor microstructures and devices, with a higher efficiency and accuracy than that achieved by previously established optical methods such as Raman and modulation spectroscopy. In addition, the compactness and ease of operation of the instrumentation of RAS provides considerable potential for in situ monitoring/control of semiconductor fabrication conditions.     

Synthesis of 1-aryl-2-alkenyldiazene 1-oxides

1-Aryl-2-alkenyldiazene 1-oxides were prepared by the reactions of 1-aryl-2-bromodiazene 1-oxides with olefins followed by dehydrobromination of the intermediate 1-aryl-2-(-bromoalkyl)diazene 1-oxides by triethylamine.Translated fromIzvestiya Akademii Nauk. Seriya Khimicheskaya, No. 5, pp. 924–927, May, 1995.This work was carried out at the Scientific Educational Center of the Institute of Organic Chemistry of the RAS with financial support of the Russian Foundation for Basic Research (Project No. 93-03-18461).     

In-situ measurement of photochemical changes of solid samples by fourier transform infrared photoacoustic spectroscopy

Infrared spectral changes of lithographic printing plates were measuredin-situ by PAS and RAS. The advantages of PAS over RAS were discussed for the spectral measurements of organic coatings on roughened metal surface.     

Modification of the Optical Spectrum of Cytosine by the Formation of an Ordered Monolayer of Molecules at a Au(110)/Electrolyte Interface

An analysis of the reflection anisotropy spectrum (RAS) of an ordered monolayer of cytosine adsorbed at a Au(110)/electrolyte interface is found to contain optical contributions from both the substrate and the cytosine. The spectrum of cytosine in an aqueous environment is significantly broadened by the interaction between the molecule and the Au(110). Successful simulations of the Au(110)/cytosine interface consisting of two additional molecular transitions, which sit in the middle of previously observed molecular absorption bands, are produced by an empirical Lorentzian transition model that is consistent with previous theoretical and experimental studies. While this analysis alone cannot determine the number of π→π* dipole transitions, it confirms that the only cytosine transitions that contribute to the optical response of the Au(110)/cytosine interface are located in the plane of the molecule, which is vertical to the gold surface with the long axis along the [1$\bar 1$ 0] direction.