NCI

A -dialkylchloroalkylamines, R2N(CH2)nCI. Formed by treating the alkanolamine with thionyl chloride. Of importance in the synthesis of pharmaceuticals, particularly tranquillizers, e.g. amidons. 

As a complementary process to reforming, isomerization converts normal paraffins to iso-paraffins, either to prepare streams for other conversions nCi —> /C4 destined for alkylation or to increase the motor and research octane numbers of iight components in the gasoiine pooi, i.e., the C5 or Cs-Ce fractions from primary distillation of the crude, or light gasoline from conversion processes, having low octane numbers. 

NCI Database Browser [62, 63] and only slightly modified for the purposes of this exercise. 

The first line of the header block contains the molectrle name and does not require any particular format (a rare case). If no name is available the line is blank. For ethanal two names are specified its identifier within the NCI database (NSC 7594) and the regular name. 

The JME can also serve as a query input tool for structure databases by allowing creation of complex substructure queries (Figure 2-130), which are automatically translated into SMARTS [22]. With the help of simple HTML-format elements the creation of 3D structure queries is also possible, as were used in the 3D pharmacophore searches in the NCI database system [129]. Creation of reac-... 

The National Cancer Institute (NCI) database is a collection of more than half a million structures, assembled by NCI s Developmental Therapeutics Program (DTP) or its predecessors in the course of NCTs anti-cancer screening efforts that started in the late 1950s (plus the more recent anti-HIV screening) [37-39]. Approximately half of this database is publicly available without any usage restrictions, and is therefore called the "Open NCI Database. For each of these structures (more than 250 000) the DTP record contains at least the chemical structure as a coimection table and an NCI accession number, the NSC number. 

To evaluate the performance of the descriptors one needs a database of compoimds for which the biological activities are known, e.g.. either the MDDR or the NCI databases. Queries are selected that are typical of a drug-hke molecule and from therapeutic categories that... 

An undesirable side-effect of an expansion that includes just a quadratic and a cubic term (as is employed in MM2) is that, far from the reference value, the cubic fimction passes through a maximum. This can lead to a catastrophic lengthening of bonds (Figure 4.6). One way to nci iimmodate this problem is to use the cubic contribution only when the structure is ,utficiently close to its equilibrium geometry and is well inside the true potential well. MM3 also includes a quartic term this eliminates the inversion problem and leads to an t". . 11 better description of the Morse curve. 

NCI, Niritl i7olc. cffcclivc against amebiasis and schistosomiasis in man 26. 3I... 

Company and country are as foUows Ajiuomoto Co., Inc., Japan (AC) Asabi Denka Kogyo KK, Japan (AD) CECA, SA, France (CECA) Dover Chemical, United States (DC) Hoechst AG, Germany (HAG) Hbls, Germany (H) ICI, United Kingdom (ICI) Keil Chemical Div., Ferro Corp., United States (KC), Nissei Chemical Industries Co., Japan (NCI) Occidental Chemical Corp., United States (OCC) Tosoh Corp., Japan (TC). 

Transuranic Waste. Transuranic wastes (TRU) contain significant amounts (>3,700 Bq/g (100 nCi/g)) of plutonium. These wastes have accumulated from nuclear weapons production at sites such as Rocky Flats, Colorado. Experimental test of TRU disposal is planned for the Waste Isolation Pilot Plant (WIPP) site near Carlsbad, New Mexico. The geologic medium is rock salt, which has the abiUty to flow under pressure around waste containers, thus sealing them from water. Studies center on the stabiUty of stmctures and effects of small amounts of water within the repository. 

Liver Effects. In 1980 a 2-year feeding study carried out as part of the NTP/NCI Bioassay Program in the United States (38,39) indicated that DEHP causes increased incidence of Hver tumors in rats and mice and that DEHA had a similar effect in mice but not rats. In these studies the levels of plasticizers fed were very high, this being possible only because of thek low acute toxicity. 

Based on tests with laboratory animals, aniline may cause cancer. The National Cancer Institute (NCI) and the Chemical Industry Institute of Toxicology (CUT) conducted lifetime rodent feeding studies, and both studies found tumors of the spleen at high dosage (100 —300 mg/kg pet day of aniline chloride). CUT found no tumors at the 10—30 mg/kg per day feeding rates. The latter value is equivalent to a human 8-h inhalation level of 17—50 ppm aniline vapor. In a short term (10-d) inhalation toxicity test by Du Pont, a no-effect level of 17 ppm aniline vapor was found for rats. At high levels (47—87 ppm), there were blood-related effects which were largely reversible within a 13-d recovery period (70). 

DHEW/NIOSH/NCI, Joiat Intelligence Bulletin No. 24, Direct Black 38, Direct Blue 6, and Direct Brown 95," Ben dine DerivedDjes, NIOSH Pubhcation No. 78—148, Dept, of Health, Education, and Welfare, Washington, D.C., 1978. 

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