Articles
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Citation: Chemistry Central Journal 2008 2(Suppl 1):P48
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Finding new potential acetylcholine esterase Inhibitors in SDFiles using CWM Lead Finder and PASS (Prediction of Activity Spectra for Substances)
Citation: Chemistry Central Journal 2008 2(Suppl 1):P42 -
COSMOsim and COSMOfrag: ab initio computation of bioisosterism and molecular properties with quantum-chemical accuracy at fingerprint speed
Citation: Chemistry Central Journal 2008 2(Suppl 1):P15 -
Modeling of nanomaterials: recent applications and new tools development
Citation: Chemistry Central Journal 2008 2(Suppl 1):S7 -
Is learning drugs the same as learning non-drugs?
Citation: Chemistry Central Journal 2008 2(Suppl 1):S5 -
Estimating the applicability domain of kernel based QSPR models using classical descriptor vectors
Citation: Chemistry Central Journal 2008 2(Suppl 1):P2 -
Freezing point osmometry of milk to determine the additional water content – an issue in general quality control and German food regulation
The determination of the osmolality of aqueous samples using a freezing point osmometer is a well-established, routine laboratory method. In addition to their use in clinical and pharmaceutical laboratories, f...
Citation: Chemistry Central Journal 2008 2:6 -
Pybel: a Python wrapper for the OpenBabel cheminformatics toolkit
Scripting languages such as Python are ideally suited to common programming tasks in cheminformatics such as data analysis and parsing information from files. However, for reasons of efficiency, cheminformatic...
Citation: Chemistry Central Journal 2008 2:5 -
Selective masking and demasking for the stepwise complexometric determination of aluminium, lead and zinc from the same solution
A complexometric method based on selective masking and de-masking has been developed for the rapid determination of aluminium, lead and zinc from the same solution in glass and glass frit samples. The determin...
Citation: Chemistry Central Journal 2008 2:4 -
A novel hybrid ultrafast shape descriptor method for use in virtual screening
We have introduced a new Hybrid descriptor composed of the MACCS key descriptor encoding topological information and Ballester and Richards' Ultrafast Shape Recognition (USR) descriptor. The latter one is calc...
Citation: Chemistry Central Journal 2008 2:3 -
Optimising biocatalyst design for obtaining high transesterification activity by α-chymotrypsin in non-aqueous media
Enzymes are often used in organic solvents for catalyzing organic synthesis. Two enzyme preparations, EPRP (enzyme precipitated and rinsed with n-propanol) and PCMC (protein coated microcrystals) show much hig...
Citation: Chemistry Central Journal 2008 2:2 -
The effect of ultrasonic pre-treatment on the catalytic activity of lipases in aqueous and non-aqueous media
Ultrasound has been used to accelerate the rates of numerous chemical reactions, however its effects on enzymatic reactions have been less extensively studied. While known to result in the acceleration of enzy...
Citation: Chemistry Central Journal 2008 2:1 -
GC-MS studies of the chemical composition of two inedible mushrooms of the genus Agaricus
Mushrooms in the genus Agaricus have worldwide distribution and include the economically important species A. bisporus. Some Agaricus species are inedible, including A. placomyces and A. pseudopratensis, which ar...
Citation: Chemistry Central Journal 2007 1:33 -
Predicting toxicity through computers: a changing world
The computational approaches used to predict toxicity are evolving rapidly, a process hastened on by the emergence of new ways of describing chemical information. Although this trend offers many opportunities,...
Citation: Chemistry Central Journal 2007 1:32 -
The JSpecView Project: an Open Source Java viewer and converter for JCAMP-DX, and XML spectral data files
The JSpecView Open Source project began with the intention of providing both a teaching and research tool for the display of JCAMP-DX spectra. The development of the Java source code commenced under license in...
Citation: Chemistry Central Journal 2007 1:31 -
Enhancement of lipase activity in non-aqueous media upon immobilization on multi-walled carbon nanotubes
Immobilization of biologically active proteins on nanosized surfaces is a key process in bionanofabrication. Carbon nanotubes with their high surface areas, as well as useful electronic, thermal and mechanical...
Citation: Chemistry Central Journal 2007 1:30 -
On the ease of predicting the thermodynamic properties of beta-cyclodextrin inclusion complexes
In this study we investigated the predictability of three thermodynamic quantities related to complex formation. As a model system we chose the host-guest complexes of β-cyclodextrin (β-CD) with different guest m...
Citation: Chemistry Central Journal 2007 1:29 -
R22(8) motifs in Aminopyrimidine sulfonate/carboxylate interactions: Crystal structures of pyrimethaminium benzenesulfonate monohydrate (2:2:1) and 2-amino-4,6-dimethylpyrimidinium sulfosalicylate dihydrate (4:2:2)
Pyrimethamine [2,4-diamino-5-(p-chlorophenyl)-6-ethylpyrimidine] is an antifolate drug used in anti-malarial chemotherapy. Pyrimidine and aminopyrimidine derivatives are biologically important compounds owing to ...
Citation: Chemistry Central Journal 2007 1:28 -
Catalysis over zinc-incorporated berlinite (ZnAlPO4) of the methoxycarbonylation of 1,6-hexanediamine with dimethyl carbonate to form dimethylhexane-1,6-dicarbamate
The alkoxycarbonylation of diamines with dialkyl carbonates presents promising route for the synthesis of dicarbamates, one that is potentially 'greener' owing to the lack of a reliance on phosgene. While a fe...
Citation: Chemistry Central Journal 2007 1:27 -
Alternative methods of globotrioside production using Vero cells: a microcarrier system procedure
Glycolipids are one component of cell membranes, and are found most prevalently at the surface of the plasma membrane. Animal cells take in amphipathic glycosides, which are later glycosylated after assimilati...
Citation: Chemistry Central Journal 2007 1:26 -
Molecular biology: Self-sustaining chemistry
Molecular biology is an established interdisciplinary field within biology that deals fundamentally with the function of any nucleic acid in the cellular context. The molecular biology section in Chemistry Centra...
Citation: Chemistry Central Journal 2007 1:25 -
Stepwise complexometric determination of aluminium, titanium and iron concentrations in silica sand and allied materials
This study aimed at measuring the quantities of Al, Ti and Fe in silica sand and allied materials employing a complexometric method in the same analyte and a stepwise indirect titration with EDTA. The method i...
Citation: Chemistry Central Journal 2007 1:24 -
Interaction of 2-aminopyrimidine with dichloro-[1-alkyl-2-(naphthylazo) imidazole]palladium(II) complexes : Kinetic and mechanistic studies
The anticancer properties of cisplatin and palladium(II) complexes stem from the ability of the cis-MCl2 fragment to bind to DNA bases. However, cisplatin also interacts with non-cancer cells, mainly through bond...
Citation: Chemistry Central Journal 2007 1:23 -
The necessary length of carbon nanotubes required to optimize solar cells
In recent years scientists have been trying both to increase the efficiency of solar cells, whilst at the same time reducing dimensions and costs. Increases in efficiency have been brought about by implanting ...
Citation: Chemistry Central Journal 2007 1:22 -
Average and extreme multi-atom Van der Waals interactions: Strong coupling of multi-atom Van der Waals interactions with covalent bonding
The prediction of ligand binding or protein structure requires very accurate force field potentials – even small errors in force field potentials can make a 'wrong' structure (from the billions possible) more ...
Citation: Chemistry Central Journal 2007 1:21 -
Characterisation of temperature-dependent phase transitions in 2,2-trimethylenedioxy- 4,4,6,6-tetrachlorocyclotriphosphazene, N3P3Cl4[O(CH2)3O]
The crystal structure of 2,2-trimethylenedioxy-4,4,6,6-tetrachlorocyclo triphosphazene has been determined at 120, 274 and 293 K. The result at 293 K confirms the room temperature Cmc21 structure, but at the lowe...
Citation: Chemistry Central Journal 2007 1:20 -
Chemical accuracy in QM/MM calculations on enzyme-catalysed reactions
Combined quantum mechanics/molecular mechanics (QM/MM) modelling has the potential to answer fundamental questions about enzyme mechanisms and catalysis. Calculations using QM/MM methods can now predict barrie...
Citation: Chemistry Central Journal 2007 1:19 -
Three novel oligosaccharides synthesized using Thermoanaerobacter brockii kojibiose phosphorylase
Recently synthesized novel oligosaccharides have been produced primarily by hydrolases and glycosyltransferases, while phosphorylases have also been subject of few studies. Indeed, phosphorylases are expected ...
Citation: Chemistry Central Journal 2007 1:18 -
Relevance of chemistry to white biotechnology
White biotechnology is a fast emerging area that concerns itself with the use of biotechnological approaches in the production of bulk and fine chemicals, biofuels, and agricultural products. It is a truly mul...
Citation: Chemistry Central Journal 2007 1:17 -
A multipurpose immobilized biocatalyst with pectinase, xylanase and cellulase activities
The use of immobilized enzymes for catalyzing various biotransformations is now a widely used approach. In recent years, cross-linked enzyme aggregates (CLEAs) have emerged as a novel and versatile biocatalyst...
Citation: Chemistry Central Journal 2007 1:16 -
Core charge distribution and self assembly of columnar phases: the case of triphenylenes and azatriphenylenes
The relation betweeen the structure of discotic molecules and columnar properties, a crucial point for the realization of new advanced materials, is still largely unknown. A paradigmatic case is that hexa-alky...
Citation: Chemistry Central Journal 2007 1:15 -
Characterization of Italian honeys (Marche Region) on the basis of their mineral content and some typical quality parameters
The characterization of three types of Marche (Italy) honeys (Acacia, Multifloral, Honeydew) was carried out on the basis of the their quality parameters (pH, sugar content, humidity) and mineral content (Na, ...
Citation: Chemistry Central Journal 2007 1:14 -
Different extraction methods of biologically active components from propolis: a preliminary study
Propolis is widely used in apitherapy, preparations, and food and beverage additives. Various extraction techniques were applied in the extraction of the biologically active constituents of poplar type propoli...
Citation: Chemistry Central Journal 2007 1:13 -
Fast 3D shape screening of large chemical databases through alignment-recycling
Large chemical databases require fast, efficient, and simple ways of looking for similar structures. Although such tasks are now fairly well resolved for graph-based similarity queries, they remain an issue fo...
Citation: Chemistry Central Journal 2007 1:12 -
Predicting olfactory receptor neuron responses from odorant structure
Olfactory receptors work at the interface between the chemical world of volatile molecules and the perception of scent in the brain. Their main purpose is to translate chemical space into information that can ...
Citation: Chemistry Central Journal 2007 1:11 -
Enantioselective transacetylation of (R,S)-β-citronellol by propanol rinsed immobilized Rhizomucor miehei lipase
Use of enzymes in low water media is now widely used for synthesis and kinetic resolution of organic compounds. The frequently used enzyme form is the freeze-dried powders. It has been shown earlier that remov...
Citation: Chemistry Central Journal 2007 1:10 -
Industrial chemistry and chemoecology are linked together to realize a modern and sustainable chemistry
Meeting society's needs without damaging the environment requires new ways of thinking. The link of industrial chemistry and chemoecology will be one of the key factors of sustainable development within the ch...
Citation: Chemistry Central Journal 2007 1:9 -
Facile solution-phase synthesis of γ-Mn3O4hierarchical structures
A lot of effort has been focused on the integration of nanorods/nanowire as building blocks into three-dimensional (3D) complex superstructures. But, the development of simple and effective methods for creatin...
Citation: Chemistry Central Journal 2007 1:8 -
PocketPicker: analysis of ligand binding-sites with shape descriptors
Identification and evaluation of surface binding-pockets and occluded cavities are initial steps in protein structure-based drug design. Characterizing the active site's shape as well as the distribution of su...
Citation: Chemistry Central Journal 2007 1:7 -
Chemical physics: The standing of a mature discipline
It is always promising and enticing to start a new editorial task in the scientific arena and the launch of the Chemistry Central Journal is no exception. The different thematic sections making up this journal...
Citation: Chemistry Central Journal 2007 1:6 -
Chemical Biology is.....
Chemical Biology is a relatively new field, and as such is not yet simply or succinctly defined. It includes such a wide range of fundamental problems that this commentary could only include just a few snapsho...
Citation: Chemistry Central Journal 2007 1:5 -
At the crossroads of biomacromolecular research: highlighting the interdisciplinary nature of the field
Due to their complexity and wide-ranging utility, biomacromolecular research is an especially interdisciplinary branch of chemistry. It is my goal that the Biomacromolecules subject area of Chemistry Central J...
Citation: Chemistry Central Journal 2007 1:4 -
Open access and open source in chemistry
Scientific data are being generated and shared at ever-increasing rates. Two new mechanisms for doing this have developed: open access publishing and open source research. We discuss both, with recent examples...
Citation: Chemistry Central Journal 2007 1:3 -
Open access and medicinal chemistry
Chemistry Central is a new open access website for chemists publishing peer-reviewed research in chemistry from a range of open access journals. A new addition, Chemistry Central Journal, will cover all of che...
Citation: Chemistry Central Journal 2007 1:2 -
Natural products chemistry in the third millennium
The main directions of Natural Products Chemistry in the Third Millennium are summarized.
Citation: Chemistry Central Journal 2007 1:1
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2022 Citation Impact
4.6 - 2-year Impact Factor
4.4 - 5-year Impact Factor
1.285 - SNIP (Source Normalized Impact per Paper)
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