bluuebunny/crossref_metadata_2025_split huggingface dataset:
Activation and Deactivation by Temperature: Behavior of Ph2PN(iPr)P(Ph)N(iPr)H in the Presence of Alkylaluminum Compounds Relevant to Catalytic Selective Ethene Trimerization
Authors: Peitz Stephan , Peulecke Normen , Aluri Bhaskar R. , Müller Bernd H. , Spannenberg Anke , Rosenthal Uwe , Al‐Hazmi Mohammed H. , Mosa Fuad M. , Wöhl Anina , Müller Wolfgang 
Published: October 2010

AbstractCoordination, deprotonation, rearrangement, and cleavage of Ph2PN(iPr)P(Ph)N(iPr)H (1) by trialkylaluminum compounds R3Al (R=Me, Et) are reported that are relevant to the selective ethene trimerization system consisting of the ligand 1, CrCl3(THF)3 and Et3Al that produces 1‐hexene in more than 90 % yield and highest purity. With increasing temperature and residence time first the formation of an adduct [Ph2PN(iPr)P(Ph)N(iPr)H][AlR3] (2), second the aluminum amide [Ph2PN(iPr)P(Ph)(AlR3)N(iPr)][AlR2] (3) and third its rearrangement to the cyclic compound [N(iPr)P(Ph)P(Ph2)N(iPr)][AlR2] (4) were observed. The cleavage of 3 by an excess of R3Al into an amidophosphane and an iminophosphane could be the reason for its rearrangement to complex 4, as well as to the cyclic dimer [R2AlN(iPr)P(Ph)2]2 (5). The chemistry of ligand 1 in the presence of alkylaluminum compounds gives hints on possible activation and deactivation mechanisms of 1 in trimerization catalysis.
ChemInform Abstract: BaNi2Ge and Ca4Ni4Ge3 — Two Layered Structures with 2∞[Ni4Ge] and 2∞[Ni4Ge3] Networks.
Authors: Siggelkow Lisa , Hlukhyy Viktor , Faessler Thomas F. 
Published: October 2010

AbstractThe title compounds, obtained from stoichiometric melts of the elements, are characterized by powder and single crystal XRD, and TB‐LMTO‐ASA electronic structure calculations.
ChemInform Abstract: The Metastable m‐Ba2SnSe5 — Synthesis, Phase Transition, Crystal Structure, Structural Relations and Electronic Structure.
Authors: Graf Christian , Assoud Abdeljalil , Zelinska Mariya , Kleinke Holger 
Published: October 2010

AbstractCrystals of a new modification of Ba2SnSe5 are synthesized from a stoichiometric mixture of the elements using a LiCl/KCl flux (770 K, 48 h) and characterized by single crystal XRD and DFT electronic structure calculations.
ChemInform Abstract: Two Ta2O5‐Rich Alkali‐Metal Lanthanide(III) Oxotantalates(V): K2LaTa5O15 and NaTm2Ta15O41.
Authors: Janka Oliver , Mueller‐Bunz Helge , Schleid Thomas 
Published: October 2010

AbstractColorless single crystals of K2LaTa5O15 (I) and NaTm2Ta15O41 (II) are prepared in oxygen‐contaminated Ta containers (wall reaction) from either LaF3 in a KF/LiF flux (600 °C, 7 d) or from TmF3 and B2O3 in a CsF/NaF flux.
ChemInform Abstract: Facile Domino Access to Chiral Bicyclo[3.2.1]octanes and Discovery of a New Catalytic Activation Mode.
Authors: Tan Bin , Lu Yunpeng , Zeng Xiaofei , Chua Pei Juan , Zhong Guofu 
Published: October 2010

AbstractA variety of medicinally important target bridged compounds with four stereogenic centers, two of which are quaternary, is prepared with high yields and enantioselectivities.
ChemInform Abstract: Chiral Iridium(I) Bis(NHC) Complexes as Catalysts for Asymmetric Transfer Hydrogenation.
Authors: Diez Claus , Nagel Ulrich 
Published: October 2010

AbstractNew chiral iridium‐bis(NHC) complexes are synthesized, in which both imidazole rings are differently substituted to form the chiral environment of the iridium center.
ChemInform Abstract: C—N Bond Formation Catalyzed by CuI Bonded to Polyaniline Nanofiber.
Authors: Arundhathi Racha , Kumar Desitti Chaitanya , Sreedhar Bojja 
Published: October 2010

AbstractA supported cuprous iodide catalyst is prepared and used as catalyst for the N‐arylation of aliphatic, aromatic, and heterocyclic amines with aryl iodides at ambient temperature and aryl chlorides at 80°C.
ChemInform Abstract: Polymeric Ethyl Glyoxylate in an Asymmetric Aldol Reaction Catalyzed by Diarylprolinol.
Authors: Urushima Tatsuya , Yasui Yusuke , Ishikawa Hayato , Hayashi Yujiro 
Published: October 2010

AbstractAn asymmetric, direct aldol reaction of ethyl glyoxylate and aldehydes is catalyzed by diarylprolinol to afford synthetically useful β‐ethoxycarbonyl‐β‐hydroxy aldehydes, which are isolated as α,β‐unsaturated esters or dimethyl acetals.
ChemInform Abstract: Melamine Sulfonic Acid: A Recoverable Catalyst for the Ecofriendly Synthesis of Thiocyanohydrins under Solvent‐Free Conditions.
Authors: Kiasat Ali Reza , Fallah‐Mehrjardi Mehdi 
Published: October 2010

AbstractThiocyanohydrins are efficiently and regioselectively obtained by ring opening of epoxide under solvent‐free conditions using the solid acid catalyst melamine sulfonic acid.
ChemInform Abstract: Creation of Quaternary Stereogenic Centers via Copper‐Catalyzed Asymmetric Conjugate Addition of Alkenyl Alanes to α,β‐Unsaturated Cyclic Ketones.
Authors: Mueller Daniel , Hawner Christine , Tissot Matthieu , Palais Laetitia , Alexakis Alexandre 
Published: October 2010

AbstractOptimized conditions are elaborated for the addition of alanes (II) to cyclohexenone (I).
ChemInform Abstract: The Palladium‐Catalyzed Trifluoromethylation of Aryl Chlorides.
Authors: Cho Eun Jin , Senecal Todd D. , Kinzel Tom , Zhang Yong , Watson Donald A. , Buchwald Stephen L. 
Published: October 2010

AbstractA wide range of (het)aryl chlorides (I) successfully undergoes Pd‐catalyzed trifluoromethylation under relatively mild conditions.
ChemInform Abstract: A Novel Direct Boron‐Mediated Synthesis of Cinnamic Acids from Aromatic Aldehydes and Aliphatic Carboxylic Acids.
Authors: Chiriac Constantin I. , Tanasa Fulga , Nechifor Marioara 
Published: October 2010

AbstractLithium tetraborate, generated in situ from Na2B4O7 and LiCl, proves to be an unexpectedly efficient reagent for the direct synthesis of cinnamic acids (III) (8 examples) from aldehydes (II) and carboxylic acids (I).
ChemInform Abstract: Efficient Procedure for Beckmann Rearrangement of Ketoximes Catalyzed by Sulfamic Acid/Zinc Chloride.
Authors: Li Ji‐Tai , Meng Xian‐Tao , Yin Ying 
Published: October 2010

AbstractA variety of ketoximes (I) reacts to the corresponding amides (II) under optimized and mild conditions.
ChemInform Abstract: Highly Efficient Syntheses of β‐Cyanoketones via Conjugate Addition of Me3SiCN to Aromatic Enones.
Authors: Yang Jingya , Chen Fuxue 
Published: October 2010

AbstractThe CsF‐catalyzed reaction yields cyanoketones (III) in excellent yields and with perfect regioselectivity, probably due to H2O‐facilitated reversion of the 1,2‐adduct in the presence of CsF and subsequent irreversible 1,4‐addition.
ChemInform Abstract: NHC—Iron‐Catalyzed Aerobic Oxidative Aromatic Esterification of Aldehydes Using Boronic Acids.
Authors: Rosa Joao N. , Reddy R. Sudarshan , Candeias Nuno R. , Cal Pedro M. S. D. , Gois Pedro M. P. 
Published: October 2010

AbstractAn aerobic oxidative aromatic esterification tolerates a wide range of functional groups but is sensitive to the ortho‐substitution [cf.
ChemInform Abstract: Ascorbate Mediated Copper Catalyzed Reductive Cross‐Coupling of Disulfides with Aryl Iodides.
Authors: Martinek Marek , Korf Michal , Srogl Jiri 
Published: October 2010

AbstractSodium ascorbate is presented as a mild and environmentally benign reducing agent to keep the metal catalyst in the title reaction in its reduced, active form.
ChemInform Abstract: Iron‐Catalyzed Michael Reactions Revisited: A Synthetically Useful Process for the Preparation of Tri‐Carbonyl Compounds and Chiral Warfarin.
Authors: Yang Hua‐Meng , Gao Yue‐Hua , Li Li , Jiang Zhen‐Yu , Lai Guo‐Qiao , Xia Chun‐Gu , Xu Li‐Wen 
Published: October 2010

AbstractThe reaction of 1,3‐dicarbonyl compounds with chalcones is investigated in the presence of FeCl3.
ChemInform Abstract: Flow‐Vacuum Pyrolysis of Polycyclic Compounds. Part 28. Pyrolysis of 1a,2,2a,6b,7,7a‐Hexahydro‐1β‐ (hydroxymethyl)‐2,7‐methano‐cyclo‐propa[b]biphenylene.
Authors: Olteanu Emilia , Popescu Angela , Draghici Constantin , Ciuculescu Crinu 
Published: October 2010

AbstractFlow‐vacuum pyrolysis of the bridged title compound (I) at 800 °C and 1 torr affords the two new alcohols (II) and (III).
ChemInform Abstract: A Stable Heptacene Derivative Substituted with Electron‐Deficient Trifluoromethylphenyl and Triisopropylsilylethynyl Groups.
Authors: Qu Hemi , Chi Chunyan 
Published: October 2010

AbstractCompound (I) represents the most stable heptacene known which persists 47h in solution under ambient light in the presence of air.
ChemInform Abstract: Synthesis, Characterization, in vitro and Molecular Docking Studies of New 2,5‐Dichloro Thienyl Substituted Thiazole Derivatives for Antimicrobial Properties.
Authors: Sarojini Balladka Kunhanna , Krishna Bettadapura Gundappa , Darshanraj Chenna Govindaraju , Bharath Basavapattana Rudresh , Manjunatha Hanumanthappa 
Published: October 2010

AbstractThe new compounds (IV), containing a dichlorothienyl‐substituted thiazole ring system, which resemble a known antifungal agent are screened for antifungal and antibacterial activities.
ChemInform Abstract: Efficient Tetrahydropyranyl and Tetrahydrofuranyl Protection/Deprotection of Alcohols and Phenols with Al(OTf)3 as Catalyst.
Authors: Williams D. Bradley G. , Simelane Sandile B. , Lawton Michelle , Kinfe Henok H. 
Published: October 2010

AbstractEffective protection and deprotection is achieved for a wide range of alcohols and phenols using the same catalytic system and only changing CH2Cl2 as a solvent for protection to MeOH for deprotection.
ChemInform Abstract: Diastereoselective Access to Enantiomerically Pure cis‐2,3‐Disubstituted Pyrrolidines.
Authors: Delaye Pierre‐Olivier , Pradhan Tarun K. , Lambert Emilie , Vasse Jean‐Luc , Szymoniak Jan 
Published: October 2010

AbstractThe development of a simple route to enantiomerically pure 2,3‐disubstituted pyrrolidines is presented.
ChemInform Abstract: Synthesis and Characterization of New 3‐Acyl‐7‐hydroxy‐6,8‐substituted‐coumarin and 3‐Acyl‐7‐benzyloxy‐6,8‐substituted‐coumarin Derivatives.
Authors: Chimenti Franco , Bolasco Adriana , Secci Daniela , Bizzarri Bruna , Chimenti Paola , Granese Arianna , Carradori Simone 
Published: October 2010

AbstractCoumarin analogues bearing an acyl function at position 3, halogens at position 6, substituted or unsubstituted benzyloxy moieties at position 7, and a methyl group at position 8, are synthesized.
ChemInform Abstract: 1,3‐Dipolar Cycloadditions of 2‐Thio‐3‐chloroacrylamides with Nitrile Oxides and Nitrones.
Authors: Kissane Marie , Lawrence Simon E. , Maguire Anita R. 
Published: October 2010

AbstractThe reaction of β‐chloroacrylamides, derived from sulfides or sulfoxides, with nitriloxide (II) proceeds with complete regio‐ and diastereoselectivities.
ChemInform Abstract: Iron‐Mediated Direct Suzuki—Miyaura Reaction: A New Method for the ortho‐Arylation of Pyrrole and Pyridine.
Authors: Wen Jun , Qin Song , Ma Li‐Fang , Dong Liang , Zhang Ji , Liu Shan‐Shan , Duan Yi‐Shu , Chen Shan‐Yong , Hu Chang‐Wei , Yu Xiao‐Qi 
Published: October 2010

AbstractThe first example of the iron‐catalyzed direct Suzuki—Miyaura reaction between N‐heterocyclic compounds and arylboronic acids is presented.
ChemInform Abstract: Synthesis of New cis‐Fused Tetrahydrochromeno[4,3‐b]quinolines and Their Antiproliferative Activity Studies Against MDA‐MB‐231 and MCF‐7 Breast Cancer Cell Lines.
Authors: Nagaiah K. , Venkatesham A. , Rao R. Srinivasa , Saddanapu V. , Yadav J. S. , Basha S. J. , Sarma A. V. S. , Sridhar B. , Addlagatta A. 
Published: October 2010

Abstract11 new cis‐fused tetrahydrochromeno[4,3‐b]quinolines of type (III) are prepared by intramolecular [4 + 2] imino‐Diels—Alder reaction of 2‐azadienes derived in situ from aromatic amines (II) and chromenones of type (I).
ChemInform Abstract: Synthesis of Some New Pyridazin‐3‐one Derivatives and Their Utility in Heterocyclic Synthesis.
Authors: El‐Mobayed Medhat M. , Hussein Ahmed M. , Mohlhel Wafia M. 
Published: October 2010

AbstractNew pyridazinone derivatives (IV) are synthesized by nucleophilic addition of benzylamine to butenoic acid derivatives (I) followed by cyclocondensation of the adducts with hydrazine hydrate.
ChemInform Abstract: Novel 2‐Hydrazino‐pyrimidin‐4(3H)‐one Derivatives as Potential Dihydrofolate Reductase Inhibitors.
Authors: Degani Mariam S. , Bag Seema , Bairwa Ranjeet , Tawari Nilesh R. , Queener Sherry F. 
Published: October 2010

AbstractAll reactions are accomplished using a one‐pot microwave‐assisted procedure.
ChemInform Abstract: Thieno[2,3‐d]pyrimidines and ‐[1,3]oxazines as Glutamate Antagonists and Investigations on the Inhibitory Potency Toward Human Leukocyte Elastase.
Authors: Briel Detlef , Rybak Anastasiya , Kronbach Christiane , Unverferth Klaus , Gonzalez Tanarro Camino M. , Guetschow Michael 
Published: October 2010

AbstractFused thiophene derivatives such as thienopyrimidines, thienooxazines, and thienothiazines with the common 5‐methyl‐6‐phenyl substitution pattern are designed and synthesized as cyclic analogues of a particularly active antagonist at the GluR6 kainate receptor.
ChemInform Abstract: Synthesis, Characterization and Biological Screening of Some Novel Tetrahydroquinazoline Derivatives.
Authors: Dodiya D. K. , Vaghasia S. J. , Trivedi A. R. , Ram H. K. , Shah V. H. 
Published: October 2010

AbstractThe title compounds (VIIc)—(VIIf) exhibit excellent antimicrobial activity compared to the standard drugs.
ChemInform Abstract: A One‐Pot Biginelli Synthesis of 6‐Unsubstituted 5‐Aroylpyrimidin‐2(1H)‐ones and 6‐Acetyl‐1,2,4‐triazin‐3(2H)‐ones.
Authors: Darwish Elham Sayed , Abdelhamid Ismail Abdelshafy , Nasra Miead Adel , Abdel‐Gallil Fathy Mohamed , Fleita Daisy Hanna 
Published: October 2010

AbstractThe three‐component reaction of enamines (I) or azaenamine (V) with aldehydes (II) and urea (III) lead to the desired pyrimidine (IV) or triazine (VI) derivatives, respectively.
ChemInform Abstract: Triptycene‐Derived Oxacalixarene with Expanded Cavity: Synthesis, Structure and Its Complexation with Fullerenes C60 and C70.
Authors: Hu Shu‐Zhen , Chen Chuan‐Feng 
Published: October 2010

AbstractThe title calixarene (III) shows highly efficient complexation ability towards fullerenes C60 and C70.
ChemInform Abstract: Selectivity of N‐Aroyl‐N′‐arylthioureas Towards 2‐(1,3‐Dioxo‐1H‐inden‐2(3H)‐ylidene)malononitrile. New Synthesis of (Z)‐N‐((E)‐4‐Amino‐1‐aryl‐5‐cyano‐6‐oxo‐1H‐indeno[1,2‐d] [1,3]thiazepin2(6H)‐ylidene)‐4‐arylamides of Antitumor and Antioxidant Activities.
Authors: Aly Ashraf A. , Brown Alan B. , Ramadan Mohamed , Abdel‐Aziz Mohamed , Abuo‐Rahma Gamal El‐Din A. A. , Radwan Mohamed F. , Gamal‐Eldeen Amira M. 
Published: October 2010

AbstractSome of the title thiazepine derivatives show effective antitumor, e.g. (IIIb), and/or antioxidative activities, e.g. (IIIb) and (IIId).
ChemInform Abstract: Electrophilic Glycosidation Employing 3,5‐O‐(Di‐tert‐butylsilylene)‐erythro‐furanoid Glycal Leads to Exclusive Formation of the β‐Anomer: Synthesis of 2′‐Deoxynucleosides and Its 1′‐Branched Analogues.
Authors: Haraguchi Kazuhiro , Konno Kiju , Yamada Kaori , Kitagawa Yasuyuki , Nakamura Kazuo T. , Tanaka Hiromichi 
Published: October 2010

AbstractNIS‐Mediated electrophilic glycosidation of silylated nucleobases, generated in situ, with glycal (I) result in the exclusive formation of the β‐products (III).
ChemInform Abstract: Application of Halide Molten Salts as Novel Reaction Media for O‐Glycosidic Bond Formation.
Authors: Kumar Vineet , Talisman Ian Jamie , Malhotra Sanjay V. 
Published: October 2010

AbstractMolten halide are used as novel reaction media for Koenigs—Knorr‐type O‐glycosidation reactions between glycosyl bromides and various phenolic acceptors.
ChemInform Abstract: Antimicrobial Alkaloids from the Tubers of Stephania succifera
Authors: Yang De‐Lan , Mei Wen‐Li , Wang Hui , Dai Hao‐Fu 
Published: October 2010

Abstractisolation, structure determination and antimicrobial activities of cepharanone D (I) and N‐formyl‐asimilobine (II)
Very large‐scale computation of very small‐scale motions in a fully developed pipe flow
Authors: Hmoudou K. , Allan W. , Goni Boulama K. , Wu X. 
Published: October 2010

AbstractLocal isotropy theory is examined using direct numerical simulation in a fully developed pipe flow at two Reynolds numbers Reτ=1285.6 and 684.8. The approach to local isotropy is assessed with reference to the two Kolmogorov classical equations for longitudinal and transverse velocity structure functions. The results for the second‐order longitudinal structure functions in both the dissipative and inertial ranges indicate an improved agreement with the local isotropy hypothesis as the centreline is approached. However, the transverse structure functions satisfy isotropy neither in the dissipative range or in the inertial range. The distribution of the longitudinal and transverse structure functions also shows a substantial Reynolds number dependance in the logarithmic region of the flow and beyond. The results for the third‐order longitudinal structure function demonstrate an increased Reynolds number influence, and a deteriorating tendency to local isotropy for large separations. Contour images of axial velocity differences in the dissipative and inertial ranges have exhibited interesting patterns in relation to those of the instantaneous axial velocity. Finally, the results obtained in this investigation are in very good agreement with other published experimental and numerical data on channel and duct flows. Copyright © 2010 John Wiley & Sons, Ltd.
An hp‐adaptive discontinuous Galerkin method for shallow water flows
Authors: Eskilsson C. 
Published: October 2010

AbstractAn adaptive spectral/hp discontinuous Galerkin method for the two‐dimensional shallow water equations is presented. The model uses an orthogonal modal basis of arbitrary polynomial order p defined on unstructured, possibly non‐conforming, triangular elements for the spatial discretization. Based on a simple error indicator constructed by the solutions of approximation order p and p−1, we allow both for the mesh size, h, and polynomial approximation order to dynamically change during the simulation. For the h‐type refinement, the parent element is subdivided into four similar sibling elements. The time‐stepping is performed using a third‐order Runge–Kutta scheme. The performance of the hp‐adaptivity is illustrated for several test cases. It is found that for the case of smooth flows, p‐adaptivity is more efficient than h‐adaptivity with respect to degrees of freedom and computational time. Copyright © 2010 John Wiley & Sons, Ltd.
Effect of the A Cation Size Disorder on the Properties of an Iron Perovskite Series for Their Use as Cathodes for SOFCs
Authors: Vidal K. , Rodríguez‐Martínez L. M. , Ortega‐San‐Martín L. , Nó M. L. , Rojo T. , Arriortua M. I. 
Published: October 2010

AbstractIn order to develop a cathode that can be used in intermediate temperature solid oxide fuel cells, a family of iron perovskites with the general formula Ln0.5M0.5FeO3–δ (A = Ln1–xMx; Ln = La, Nd and/or Pr; M = Sr, Ca or/and Ba) with fixed divalent dopant concentration x to 0.5, mean A cation radius 〈rA〉 to 1.25 Å but with different A cation size disorder σ2(rA) has been prepared by the conventional solid state reaction. These compounds have been characterised by power X‐ray diffraction (XRD), high‐resolution scanning electron microscopy (SEM), electrical conductivity, I–V measurements and AC impedance spectroscopy. All the samples have a rhombohedral crystal structure (space group: R‐3c). SEM images show that the average grain size increases with increasing σ2(rA) in the bulk samples. The DC four‐probe measurements indicate that electrical conductivity is strongly dependent on the σ2(rA). Electrochemical impedance spectra at 700 and 800 °C revealed that better electrochemical cathode performances are for samples with smaller values of σ2(rA).
Local knowledge, state power, and the science of industrial labor relations: William Leiserson, David Saposs, and American labor economics in the interwar years
Authors: Wang Jessica 
Published: October 2010

AbstractRecent scholarship has frequently emphasized modern states' use of social science to impose universalized conceptions of rationality and order upon diverse, highly localized settings. The New Deal era experiences of William M. Leiserson and David J. Saposs, however, provide an analytical alternative. As students of the pioneering labor economist John R. Commons, Leiserson and Saposs sought to create mechanisms for state oversight of industrial labor relations that recognized local practices and arrangements. Although their approach failed to take hold within the National Labor Relations Board, localized institutional and political contingencies, and not a hegemonic modernism, account best for their frustrated aspirations in the late 1930s. © 2010 Wiley Periodicals, Inc.
Continuous‐flow syntheses of heterocycles
Authors: Glasnov Toma N. , Kappe C. Oliver 
Published: October 2010

Abstract
This review surveys the synthesis of heterocycles under continuous‐flow conditions, including the use of chip‐based microreactors, coil‐based flow reactors, and capillary or tubular devices. J. Heterocyclic Chem., 2011.
Weather types accompanying very high pressure in Krakow in the period 1901–2000
Authors: Bielec‐Bakowska Zuzanna , Piotrowicz Katarzyna 
Published: October 2010

AbstractThe paper presents a classification of weather types observed in Krakow during the 20th century on days with particularly strong highs. The classification was based on daily values of a number of weather elements recorded at Krakow's Historic Weather Station during the period 1901–2000. Days with very high pressure were defined as those with an air pressure at 12 UTC equal to or greater than the 99th percentile of all the cases analysed (≥1037.5 hPa). A slightly modified version of a classification developed by Woś (1999) was used to determine weather types on each of the days identified. Very high pressure was found to have occurred solely during the cold half of the year (October–March). It was mostly accompanied by fairly frosty (9‐‐‐) or moderately frosty (8‐‐‐) weather types; subtype: sunny or with little cloud amount and very sunny (‐02‐) and very cloudy, without sunshine or with little sunshine (‐20‐); and weather class: without fog (‐‐‐0). No significant annual or seasonal trends were found in the occurrence of days with very high pressure or in the various weather types. Copyright © 2010 Royal Meteorological Society
Classification of Raman spectra using the correlation kernel
Authors: Kyriakides Alexandros , Kastanos Evdokia , Hadjigeorgiou Katerina , Pitris Costas 
Published: October 2010

AbstractThe classification of Raman spectra can be very useful in a wide range of diagnostic applications including bacterial identification. Before any form of classification can be carried out on the Raman spectra, some form of pre‐processing is commonly applied. This pre‐processing greatly affects the accuracy of the results and introduces user bias and over‐fitting effects. In this paper, we propose using support vector machines with the correlation kernel. The use of the correlation kernel on Raman spectra has not been presented before in any published work. Our results illustrate that the correlation kernel is ‘self‐normalizing’ and produces superior classification performance with minimal pre‐processing, even on highly noisy data obtained using inexpensive equipment. Such effective classification approaches can lead to clinically valuable diagnostic applications of Raman Spectroscopy. Copyright © 2010 John Wiley & Sons, Ltd.