bluuebunny/crossref_metadata_2025_split huggingface dataset:
Applications of Vibrational Spectroscopy to Combinatorial Chemistry
Authors: Pivonka Don E. 
Published: June 2007

Abstract
The sections in this article are

Introduction

Infrared Sampling of Solid‐Phase Synthesis

Qualitative Analysis

Batch Mode Quantitative Analysis

Analysis of Reaction Progression

Flow‐Cell Applications

The Demountable Flow Cell

Infrared Flow‐Cell Quantitation Methodologies

Analysis of Bead Properties

Solvent Fraction

Analysis of Reagent Diffusion

Reagent Partition

The
R
aman Spectroscopic Complement to Infrared Methodologies

Sampling

Selectivity

Spectral Subtraction

Excitation Laser Parameters

On‐Line Analysis of Reaction Progression

R
aman Quantification

Library Validation

Application of Vibrational Spectroscopic Methods for the Benchmark Profiling of Candidate Bead Substrates

Profile Components

Solvent Fraction

Negative
K
aiser Coupling Analysis

Profile Summary

Conclusion
Applications of Vibrational Optical Activity in the Pharmaceutical Industry
Authors: Nafie Laurence A. , Dukor Rina K. 
Published: June 2007

Abstract
The sections in this article are

Introduction

Definitions of Vibrational Optical Activity

Measurement and Calculation of Vibrational Optical Activity

Determination of Absolute Configuration

Real‐Time Monitoring of Reactions of Chiral Molecules

Vibrational Optical Activity of Proteins and Protein Therapeutics

Vibrational Circular Dichroism of Solids and Formulated Products

Conclusions and Future Applications
Infrared andRaman Spectroscopy for Process Development
Authors: Zhou George , Guenard Robert , Ge Zhihong 
Published: June 2007

AbstractWith the demands on improved pharmaceutical productivity and quality, as well as the regulatory encouragement on applying process analytical technology (PAT), PAT is becoming increasingly recognized and embraced by pharmaceutical companies in both research and manufacturing areas. In this article, benefits of popular PAT tools, FTIR and Raman, to process development and scale‐up of active pharmaceutical ingredient (API) have been demonstrated. Applications of FTIR for in‐line monitoring and control of hazardous reactions, such as hydrogenation, Grignard reaction, and reaction involving potent species, are illustrated to achieve robust and safe processes. Meanwhile, in‐line measurement of a solute concentration by FTIR spectroscopy has made it possible to realize the feedback control of a crystallization process. In addition, for a better understanding and engineering of crystallization processes, Raman spectroscopy has shown as a valuable asset to characterize and quantify polymorphs in crystallization processes bothin situand at real‐time.
Raman Analysis of Pharmaceuticals
Authors: Bugay David E. , Henck Jan‐Olav , Longmire Michael L. , Thorley Fiona C. 
Published: June 2007

AbstractRaman spectroscopy is an integral tool for the identification, qualitative characterization, and quantitative analysis of drugs at the drug substance and/or drug product level. Significant advances in Raman spectrometer hardware, software control and data processing techniques have lead to unique applications of the Raman spectroscopic technique within the pharmaceutical industry. This Chapter presents applications of Raman spectroscopy as applied to the analysis of pharmaceutical drug substances as well as drug products. At the drug substance level, applications include the chemical and physical characterization of the API, microanalysis, contaminant analysis, and surface characterization. An extensive discussion is also presented on quantitative pharmaceutical analysis by Raman spectroscopy at the drug substance and drug product level including univariate versus multivariate analysis and method validation.
Vibrational Spectroscopy of Solid‐State Forms – Introduction, Principles and Overview
Authors: Threlfall Terry L. , Chalmers John M. 
Published: June 2007

AbstractPolymorphism of drug compounds is a critical issue within the pharmaceutical industry. Vibrational spectroscopy techniques play an important and ever increasing role in the identification, analysis and characterization of different forms, both crystalline and amorphous, of pharmaceutical drug substances. This chapter discusses the role, advantages, some applications, and limitations of mid‐, near‐ and far‐infrared, terahertz and Raman spectroscopy to the characterization, both qualitative and quantitative, of polymorphs, solvates and hydrates. It outlines the principles behind the effects polymorphism may have on a vibrational spectrum, and exemplifies the complementary requirement for applying a range of analytical techniques to each polymorphism study. For each vibrational spectroscopy technique discussed, consideration is given to sampling, and to qualitative, both macro‐ and micro‐, and quantitative applications.
Vibrational Spectroscopy of Solid‐State Forms – Applications and Examples
Authors: Igo David H. , Chen Pingyun 
Published: June 2007

Abstract
Vibrational spectroscopy has been used to study the polymorphism of pharmaceutical compounds for more than half of a century. The high sensitivity, short analysis time, and rich structural information available with these techniques make them well‐suited for high‐throughput screening. In this chapter, we will discuss a number of important applications of vibrational spectroscopy in drug development processes. The main focus will be on its use in high‐throughput crystal form screening, structural characterizations of solid‐state forms, and studies that establish the thermodynamic relationship between different crystal forms.
Application of Vibrational Spectroscopy for the Analysis of Rubber Composites
Authors: Bokobza Liliane 
Published: June 2007

Abstract
Various examples on filled elastomeric networks will illustrate the potential of vibrational spectroscopy for a better understanding of the reinforcement effect. The addition of an inorganic component to polymers usually leads to improvements in moduli. The increase in stiffness arises essentially from interfacial interactions between the organic and inorganic phases. These interactions, determined by the surface characteristics and the chemically active sites of the filler particles, play a major role in the mechanical response of the composite material. Vibrational spectroscopy has been used to gain interesting insights into the quality of the interface. The results of the spectroscopic investigation are nicely combined with the macroscopic information provided by the mechanical analysis.
Measurement of the Thermal and Solar Properties of Polymers by Vibrational Spectroscopy
Authors: Papini‐Arconada M. , Papini F. 
Published: June 2007

Abstract
This chapter presents the main thermal and solar properties of polymers and their measurement by vibrational spectroscopy. Polymers have been proven to have high potential for applications in solar energy conversion and are widely available low‐cost materials. After a brief survey to introduce the thermal and solar properties of materials, a few general methods of measurement of these properties will be examined that are especially appropriate for polymers. Several technical applications are presented such as the greenhouse effect in a heat‐transfer process, polymers as cover systems, corrugated and honeycomb structures, polymers as protective coatings, photocells, and conductive polymers.
Dynamic Infrared Linear Dichroism of Polymers†Much of this material was based on Chapter 21 in “Fourier Transform Infrared Spectrometry”, Second Edition, by P. R. Griffiths and J. A. de Haseth, Wiley Interscience, Hoboken (2007).
Authors: Griffiths Peter R. , Arbuckle‐Keil Georgia A. 
Published: June 2007

Abstract
The sections in this article are

The Study of Viscoelastic Properties of Polymers by Infrared Spectrometry

Dynamic Infrared Linear Dichroism Measured with a Monochromator

DIRLD

Spectroscopy with a Step‐Scan
F
ourier Transform Spectrometer

Magnitude and Phase Spectra and Two‐Dimensional Correlation Maps

Magnitude and Phase Spectra

Two‐Dimensional (2‐
D
) Correlation Maps

Some Recent Reports of
DIRLD

DIRLD
Spectroscopy with a

FT
‐
IR

Spectrometer and Digital Signal Processing

Summary

Appendix: The Photoelastic Modulator
Hybrid ZnO–Dye Hollow Spheres with New Optical Properties by a Self‐Assembly Process Based on Evans Blue Dye and Cetyltrimethylammonium Bromide
Authors: Cong H.‐P. , Yu S.‐H. 
Published: June 2007

AbstractA facile one‐step process for the fabrication of hybrid ZnO–dye hollow spheres with novel optical properties has been discovered. Addition of Evans blue (EB) dye to cetyltrimethylammonium bromide (CTAB) results in the formation of CTAB‐EB micelles through an ionic self‐assembly process, and the resulting material acts as a soft template for the crystallization of ZnO upon addition of a zinc salt and ammonia under mild refluxing conditions. The formation mechanism of such hollow spheres has been investigated. These new hybrid ZnO–dye hollow spheres display distinct optical properties that differ from properties observed for the pure ZnO and dye components. This approach is a new and effective method for fabricating novel semiconductor–dye hybrids with unique electronic and optical properties and is expected to provide access to additional inorganic–organic materials with novel structures and unusual functionalities.
Isolated thrombocytopenia induced by thalidomide in a patient with multiple myeloma: Case report and review of literature
Authors: Prasad H. Keshava , Kaushal Varsha , Mehta Paulette 
Published: June 2007

AbstractThalidomide is being increasingly used in hematology and oncology. Its use is associated with neuropathy, sedation, edema, fatigue, constipation, and deep venous thrombosis. Cytopenias are unusual, but there are case reports. However, there are no reports of isolated thrombocytopenia. We describe here a case of prolonged isolated thrombocytopenia most likely caused by thalidomide. The patient's in platelet count decreased promptly after an increase in the dose and improved after discontinuation of the drug. The relevant literature is reviewed. Am. J. Hematol., 2007. © 2007 Wiley‐Liss, Inc.
Sickle liver disease—An unusual presentation in a compound heterozygote for HbS and a novel β‐thalassemia mutation
Authors: Cross Timothy J.S. , Berry Philip A. , Akbar Nuzhat , Wendon Julia , Thein S.L. , Harrison Phillip M. 
Published: June 2007

AbstractA 38‐year‐old Ghanaian man presented with a 6‐month history of worsening pruritus, jaundice, and ascites. He was previously fit and well and rarely drank alcohol. Screening tests for chronic liver disease including viral, autoimmune, and other metabolic causes including iron overload were unremarkable. A liver biopsy performed at the referring hospital demonstrated intralobular cholestasis and cirrhosis. He was listed for liver transplantation but subsequently developed sepsis with multiple organ failure and died. The sickle solubility test was positive. Blood smear showed cells consistent with liver failure and no sickle cells. Hemoglobin electrophoresis revealed HbA2 2.8%, HbF 0.5%, and HbS greater than HbA (49.6% vs. 41.3%) in the absence of blood transfusion. Sequence analysis of the βIVS2‐844 C → A). A diagnosis of sickle hepatopathy causing decompensated cirrhosis was made. This case is unusual insomuch as this patient was asymptomatic for over 35 years and represents a novel presentation of sickle cell disease. Sickle cell disease should be considered in appropriate patients when unusual presentations of liver disease arise. Am. J. Hematol., 2007. © 2007 Wiley‐Liss, Inc.
Prospective phase II trial to evaluate the complications and kinetics of chimerism induction following allogeneic hematopoietic stem cell transplantation with fludarabine and busulfan
Authors: Saito Akiko M. , Kami Masahiro , Mori Shin‐Ichiro , Kanda Yoshinobu , Suzuki Ritsuro , Mineishi Shin , Takami Akiyoshi , Taniguchi Shuichi , Takemoto Yoshinobu , Hara Masamichi , Yamaguchi Masaki , Hino Masayuki , Yoshida Takashi , Kim Sung‐Won , Hori Akiko , Ohashi Yasuo , Takaue Yoichi 
Published: June 2007

AbstractThis prospective trial assessed the safety and efficacy of allogeneic hematopoietic stem cell transplantation from a HLA‐matched donor with a reduced‐intensity regimen (RIST) consisting of iv fludarabine 30 mg/m2 for 6 days and oral busulfan 4 mg/kg/day for 2 days in patients older than 50 years with hematological malignancies. Cyclosporine alone or cyclosporine with short‐term methotrexate was randomized for graft‐versus‐host disease prophylaxis. After 30 patients had been enrolled, an interim analysis was performed, and this report focuses on a precise evaluation of the toxicity profile and chimerism kinetics. Sustained engraftment in all patients, no severe regimen‐related toxicity (RRT) within 20 days, and no transplant‐related mortality through Day 100 were observed. T‐cell (CD3+) full‐donor (over 90%) chimerism was observed in 22 of the 30 patients, while the remaining eight had mixed‐donor chimerism over 77% on Day 90. Thereafter, five subsequently converted to full‐donor chimerism without donor lymphocyte infusion by day 120 (n = 4) or Day 180 (n = 1). Two showed persistent mixed chimerism without relapse through Day 180. Grade III–IV acute graft‐versus‐host disease and extensive chronic graft‐versus‐host disease occurred in 10% and 73%, respectively. With a median follow‐up of 1.5 years, overall survival and disease‐free survival at 1 year was 83% and 62%, respectively. Seven patients hematologically relapsed overall, and five of them had myelodysplastic syndrome with poor prognostic factors. In older patients, RIST with fludarabine and busulfan was associated with acceptable toxicities and a satisfactory antileukemia effect, regardless of the early chimerism status. Am. J. Hematol. 82:873–880, 2007. © 2007 Wiley‐Liss, Inc.
Partial tandem duplication of GRIA3 in a male with mental retardation
Authors: Chiyonobu Tomohiro , Hayashi Shin , Kobayashi Kazuhiro , Morimoto Masafumi , Miyanomae Yuri , Nishimura Akira , Nishimoto Akemi , Ito Chiyomi , Imoto Issei , Sugimoto Tohru , Jia Zhengping , Inazawa Johji , Toda Tatsushi 
Published: June 2007

AbstractThe genetic factors underlying mental retardation (MR) are very heterogeneous. Recent studies have identified a number of genes involved in MR, several of which lie on the X‐chromosome, but the current understanding of the monogenic causes of MR is far from complete. Investigation of chromosomal rearrangements in patients with MR has proven particularly informative in the search for novel genes. Using array‐based comparative genomic hybridization analysis, we identified a small copy number gain at Xq25, which was undetectable by conventional G‐band analysis, in a boy with unexplained MR. Further characterization revealed a partial tandem duplication of GRIA3, an alteration also present on one allele in his mother. RT‐PCR analysis of lymphoblastoid cell RNA revealed remarkably reduced GRIA3 transcript levels in the patient. The mother, whose cognitive level is normal, also demonstrated remarkably reduced GRIA3 transcript levels in lymphoblastoid cells, and X‐chromosome inactivation (XCI) was completely skewed in her peripheral lymphocytes. It is possible that XCI in the brain is not completely skewed and that GRIA3 expression from the normal allele may account for the mother's normal cognitive function. Taken together with previous findings of GRIA3 disruptions in the patients with MR, our study strengthens the idea that GRIA3 is a candidate gene for X‐linked MR and that severely reduced GRIA3 expression results in MR. © 2007 Wiley‐Liss, Inc.
Brief communication: The Thule migration: Rejecting population histories using computer simulation
Authors: Marchani E.E. , Rogers A.R. , O'Rourke D.H. 
Published: June 2007

AbstractLocked within our genetic code are the histories of our genes and the genes of our ancestors. Deciphering a population's history from genetic data often involves lengthy investigations of many loci for many individuals. We test hypothetical population histories of the Thule expansion using a new coalescent simulation method that uses little more than mitochondrial haplogroup data. This new methodology rejects a severe bottleneck at expansion and reveals the range of probable population histories on which to focus future research. Am J Phys Anthropol, 2007. © 2007 Wiley‐Liss, Inc.
(3‐Aminopropyl)trifluorosilanes and their N‐substituted derivatives
Authors: Voronkov Mikhail G. , Chernov Nikolai F. , Albanov Aleksander I. , Trofimova Olga M. , Bolgova Yulya I. , Grebneva Ekaterina A. 
Published: June 2007

AbstractN‐substituted (3‐aminopropyl)trifluorosilanes RR′NCH2CH2CH2SiF3 I–V were synthesized in order to investigate the effect of the substituents at the nitrogen atom on the N → Si intramolecular interaction. Compounds I–V were prepared by the reaction of KF with F3BN(CH2CH2CH2SiF3)RR′ or H(RR′NCH2CH2CH2SiF4). The structures of compounds were confirmed by 1H, 13C, 19F, 29Si NMR and IR spectroscopy. The spectral data suggest a pentacoordination at silicon in compounds I (R = R′ = H) and II (R = R′ = Me) resulting from a relatively strong N → Si intramolecular bonding. Copyright © 2007 John Wiley & Sons, Ltd.
Modulation of the ecdysteroid‐induced cell death by juvenile hormone during pupal wing development of Lepidoptera
Authors: Lobbia Saori , Futahashi Ryo , Fujiwara Haruhiko 
Published: June 2007

AbstractFemales of the tussock moth Orgyia recens have only vestigial wings, whereas the males have normal wings. We previously found that ecdysteroid induces both apoptotic events and phagocytotic activation in sex‐specific and region‐specific manners. To investigate whether different responses to ecdysteroid are controlled at the receptor level, we cloned ecdysteroid receptor isoforms, EcR‐A and EcR‐B1, in O. recens. In both male and female wings, EcR‐A signal was detected in the distal region of the bordering lacuna (BL), whereas EcR‐B1 signal was detected in the proximal region of the BL. The similar expression patterns of both EcR isoforms suggested that molecules other than EcR should be involved in different ecdysteroid responses between male and female of O. recens. We next tested juvenile hormone (JH) effects on pupal wing morphogenesis in O. recens. Interestingly, both JH and 20E addition induced wing degeneration not only in females but also in males. In addition, higher concentration of JH pre‐treatment of the pupal wings of the silkworm, Bombyx mori, also caused wing degeneration under ecdysteroid treatment. These results indicate that JH modulates the ecdysteroid action to induce the cell death on pupal wings, generally in Lepidoptera. Arch. Insect Biochem. Physiol. 65:152–163, 2007. © 2007 Wiley‐Liss, Inc.
Preface: Papers from the 16th International Ecdysone Workshop
Authors: Smagghe Guy , Stanley David 
Published: June 2007

AbstractWe are pleased to introduce a two‐issue set of papers by contributors to the 16th International Ecdysone Workshop held last July in Ghent, Belgium with 128 participants from 18 countries. It would be very difficult to understate the biological significance of ecdysteroids in insect science, and the papers in this Special Issue help us appreciate the continued and rapid progress in this important area. This is also reflected in the fact that nearly 2000 papers were published on “ecdysteroids” in ISI indexed peer‐reviewed international journals over the last 6 years since 2000.Ecdysteroids do not act on a one‐dimensional hormone‐effect axis. To the contrary, papers in this Special Issue report on ecdysteroid interactions with other signal moieties. Gruntenko et al. and Rauschenach et al. reveal important interactions between biogenic amines and ecdysteroid titers. Eizaguirre et al. bring in new information on interactions of JH and ecdysteroids, while Kamimura et al. write about the influence of ecdysteroids on JH esterase gene expression. Ecdysteroids influence cell death, however, this effect is modulated by JH, as seen in Lobbia et al. As this area develops, we are sure to see new entities—perhaps even eicosanoids—interacting with ecdysteroids.The mechanisms of ecdysteroids and ecdysteroid biosynthesis continue to fascinate many insect scientists. Dedos et al. report on calcium signal cascades in prothoracic glands. Localization and movement of the ecdysteroid receptor complex draws the attention of Cronauer et al. and Betanska et al. This receptor also has potential biotech application with gene switch technology, as discussed by Tavva et al.The significance of ecdysteroids in insect biology is highlighted by the number of parasitoids and plants that influence insect ecdysteroids. Rharrabe et al. outline the diversity of detoxification pathways for ingested ecdysteroids, and Bodin et al. report on host‐induced ecdysteroids in a parasitoid. Krishnan et al. report on the influence of ecdysteroids in oxidative stress damage.Together, the papers in this Special Issue advance our appreciation of the biological significance of ecdysteroids in insect biology and they celebrate the insect scientists who are working on the frontiers of our knowledge in this substantial area. We hope this body of work helps scientists who want to participate in this exciting research.
Automatic multidocument summarization of research abstracts: Design and user evaluation
Authors: Ou Shiyan , Khoo Christopher S.G. , Goh Dion H. 
Published: June 2007

AbstractThe purpose of this study was to develop a method for automatic construction of multidocument summaries of sets of research abstracts that may be retrieved by a digital library or search engine in response to a user query. Sociology dissertation abstracts were selected as the sample domain in this study. A variable‐based framework was proposed for integrating and organizing research concepts and relationships as well as research methods and contextual relations extracted from different dissertation abstracts. Based on the framework, a new summarization method was developed, which parses the discourse structure of abstracts, extracts research concepts and relationships, integrates the information across different abstracts, and organizes and presents them in a Web‐based interface. The focus of this article is on the user evaluation that was performed to assess the overall quality and usefulness of the summaries. Two types of variable‐based summaries generated using the summarization method—with or without the use of a taxonomy—were compared against a sentence‐based summary that lists only the research‐objective sentences extracted from each abstract and another sentence‐based summary generated using the MEAD system that extracts important sentences. The evaluation results indicate that the majority of sociological researchers (70%) and general users (64%) preferred the variable‐based summaries generated with the use of the taxonomy.
Information: Objective or subjective/situational?
Authors: Hjørland Birger 
Published: June 2007

AbstractThis article contrasts Bates' understanding of information as an observer–independent phenomenon with an understanding of information as situational, put forward by, among others, Bateson, Yovits, Spang‐Hanssen, Brier, Buckland, Goguen, and Hjørland. The conflict between objective and subjective ways of understanding information corresponds to the conflict between an understanding of information as a thing or a substance versus an understanding of it as a sign. It is a fundamental distinction that involves a whole theory of knowledge, and it has roots back to different metaphors applied in Shannon's information theory. It is argued that a subject‐dependent/situation specific understanding of information is best suited to fulfill the needs in information science and that it is urgent for us to base Information Science (IS; or Library and Information Science, LIS) on this alternative theoretical frame.