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Journal articles on the topic 'Infrared spectra and biochemical compounds'

Author: Grafiati

Published: 7 June 2025

Last updated: 2 August 2025

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1

Ibrahim, Mohammed, and James R. Kincaid. "Spectroscopic studies of peroxo/hydroperoxo derivatives of heme proteins and model compounds." Journal of Porphyrins and Phthalocyanines 08, no. 03 (2004): 215–25. http://dx.doi.org/10.1142/s1088424604000209.

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The spectroscopic characterization of peroxo- and hydroperoxo- intermediates of heme proteins and enzymes has long interested scientists studying the structure and function of these important biochemical systems. Until very recently, little progress had been made in studying these fleeting intermediates by vibrational spectroscopic methods. In this brief review, recent studies reporting the Resonance Raman and Infrared spectra of such intermediates and pertinent model compounds are reviewed and compared to corresponding studies utilizing electronic absorption and electron paramagnetic resonanc

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2

Lorin–Latxague, Chrystelle, and Anne–Marie Melin. "Radical induced damage ofMicrococcus luteusbacteria monitored using FT‒IR spectroscopy." Spectroscopy 19, no. 1 (2005): 17–26. http://dx.doi.org/10.1155/2005/386404.

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Oxidative damage induced by ascorbic acid (AA) and hydrogen peroxide (H2O2) was monitored by Fourier transform infrared spectroscopy (FT‒IR); it appeared as a rapid and convenient means to follow the biochemical changes generated in the culture media of the yellow-pigmentedMicrococcus luteus. Beyond a threshold of 20 mM for AA and of 40 mM for H2O2(final concentration), antioxidant systems were overwhelmed and significant changes were observed in the bacterial spectra, particularly in the 1430–900 cm−1region; this spectral window provided large information about carboxylate groups, phosphate-c

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Ksenofontova, Ksenia V. N., Alexander A. Ksenofontov, Ilya A. Khodov, and Evgeniy V. N. Rumyantsev. "SYNTHESIS AND STUDY OF SPECTRAL PROPERTIES OF AMINO ACIDS – BODIPY CONJUGATES." IZVESTIYA VYSSHIKH UCHEBNYKH ZAVEDENII KHIMIYA KHIMICHESKAYA TEKHNOLOGIYA 63, no. 5 (2020): 4–11. http://dx.doi.org/10.6060/ivkkt.20206305.6101.

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The present work describes direct one-pot synthesis of the two novel amino acids – boron-dipyrromethene (BODIPY) conjugates with histidine and tyrosine residues bound to fluorophore via amino group. The synthesized compounds were fully characterized by means of 1H and 11B nuclear magnetic resonance spectroscopy, infrared spectroscopy, time-of-flight mass spectrometry with matrix-activated laser desorption / ionization. All the data are in accordance with the proposed structures. The amino acids – BODIPY conjugates under study were investigated by means of absorbance and fluorescence spectrosco

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4

Saleh, Basel. "Biochemical Diversity of Salvia (Lamiaceae) Species." Journal of Agroalimentary Processes and Technologies 2024 (30), no. 4 (2025): 415–22. https://doi.org/10.59463/japt.2024.2.42.

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Fourier transform infrared (FTIR) spectroscopy is one of few analytical methods used successfully in many laboratories worldwide, for huge applications in research and industrial purposes. Chemical composition of 10 Salvia species including S. judaica Boiss (S1), S. viridis var. horminum L. (S2), S. officinalis L. (S3), S. palaestina Bentham (S4), S. syriaca L. (S5), S. pinardi Boiss (S6), S. lanigera Poiret (S7), S. ceratophylla L. (S8), S. dominica L. (S9) and S. spinosa L. (S10) was analyzed using FTIR spectroscopy. FTIR spectra analysis revealed 10, 11, 12, 11, 10, 9, 12, 8, 8 and 12 obser

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Mazurek, Sylwester, Maciej Włodarczyk, Sonia Pielorz, et al. "Quantification of Salicylates and Flavonoids in Poplar Bark and Leaves Based on IR, NIR, and Raman Spectra." Molecules 27, no. 12 (2022): 3954. http://dx.doi.org/10.3390/molecules27123954.

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Poplar bark and leaves can be an attractive source of salicylates and other biologically active compounds used in medicine. However, the biochemical variability of poplar material requires a standardization prior to processing. The official analytical protocols used in the pharmaceutical industry rely on the extraction of active compounds, which makes their determination long and costly. An analysis of plant materials in their native state can be performed using vibrational spectroscopy. This paper presents for the first time a comparison of diffuse reflectance in the near- and mid-infrared re

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Gaus, Alvan, Cecil Stushnoff, and Ann McSay. "Identification of Apple Rootstocks by Fourier Transform Infrared Spectroscopy." HortScience 31, no. 4 (1996): 619e—619. http://dx.doi.org/10.21273/hortsci.31.4.619e.

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Proper identification of apple rootstocks has always been a problem for nurseries and fruit growers. There needs to be a rapid, inexpensive, and repeatable protocol for identification of apple rootstocks. Fourier transform infrared spectroscopy (FTIR), an analytical chemical technique based on infrared laser characterization of molecular bonding energies for biochemical compounds, such as proteins, may provide an answer. Several rootstocks from the 1984 NC-140 apple rootstock trial were compared. Using a BioRad research spectrometer, spectra derived from 1000 scans per freeze dried sample were

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MACHANA, Kwanchayanawish, Amonrat KANOKRUNG, Sirinart SRICHAN, Boonyadist VONGSAK, Maliwan KUTAKO, and Ekarin SIAFHA. "Monitoring of Biochemical Compounds and Fatty Acid in Marine Microalgae from the East Coast of Thailand." Walailak Journal of Science and Technology (WJST) 17, no. 4 (2018): 334–47. http://dx.doi.org/10.48048/wjst.2020.4645.

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Determinations of fatty acid profiles of five microalgae; Amphora sp., Chaetoceros sp., Melosira sp., Bellerochae sp., and Lithodesmium sp., from the east coast of Thailand were evaluated by conventional Gas Chromatography-Flame Ionization Detector (GC-FID). The results exhibited that the fatty acids suitable for biodiesel production were the most frequent entities encountered in all microalgae profiles. The GC chromatogram of fatty acid profiles in microalgae showed that both Amphora sp. and Chaetoceros sp. comprised essential omega-3 fatty acids, eicosapentaenoic acid (EPA), and docosahexaen

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Johnson, Helen E., David Broadhurst, Douglas B. Kell, Michael K. Theodorou, Roger J. Merry, and Gareth W. Griffith. "High-Throughput Metabolic Fingerprinting of Legume Silage Fermentations via Fourier Transform Infrared Spectroscopy and Chemometrics." Applied and Environmental Microbiology 70, no. 3 (2004): 1583–92. http://dx.doi.org/10.1128/aem.70.3.1583-1592.2004.

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ABSTRACT Silage quality is typically assessed by the measurement of several individual parameters, including pH, lactic acid, acetic acid, bacterial numbers, and protein content. The objective of this study was to use a holistic metabolic fingerprinting approach, combining a high-throughput microtiter plate-based fermentation system with Fourier transform infrared (FT-IR) spectroscopy, to obtain a snapshot of the sample metabolome (typically low-molecular-weight compounds) at a given time. The aim was to study the dynamics of red clover or grass silage fermentations in response to various inoc

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Santos-Rivera, Mariana, Amelia R. Woolums, Merrilee Thoresen, Florencia Meyer, and Carrie K. Vance. "Bovine Respiratory Syncytial Virus (BRSV) Infection Detected in Exhaled Breath Condensate of Dairy Calves by Near-Infrared Aquaphotomics." Molecules 27, no. 2 (2022): 549. http://dx.doi.org/10.3390/molecules27020549.

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Bovine respiratory syncytial virus (BRSV) is a major contributor to respiratory disease in cattle worldwide. Traditionally, BRSV infection is detected based on non-specific clinical signs, followed by reverse transcriptase-polymerase chain reaction (RT-PCR), the results of which can take days to obtain. Near-infrared aquaphotomics evaluation based on biochemical information from biofluids has the potential to support the rapid identification of BRSV infection in the field. This study evaluated NIR spectra (n = 240) of exhaled breath condensate (EBC) from dairy calves (n = 5) undergoing a contr

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Khan, Ishan Ullah, Widhi Dubey, and Vedprakash Gupta. "Preponderance of Bioactive Medicinal Compounds and ATR-FTIR Spectroscopy of Coriander and Mustard Floral Honey from Apis mellifera." Indonesian Journal of Chemistry 17, no. 3 (2017): 376. http://dx.doi.org/10.22146/ijc.23236.

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The physicochemical, total phenolics, flavonoids, and antioxidant activity were evaluated for biochemical characterization of coriander and mustard floral honey. The total phenolics, flavonoids and antioxidant activity were analyzed using UV-VIS spectrophotometer. Fourier transform infrared spectroscopy (FT-IR) was used to evaluate the chemical characteristic of coriander and mustard floral honey. The total phenolics content was ranged from 294 to 462 mg gallic acid equivalent kg-1 of honey. The total flavonoid content was ranged from 43 to 53 mg quercetin equivalent kg-1 of honey. Antioxidant

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G., Shanmugavel. "EVALUATION OF PHYTOCHEMICAL CONSTITUENTS OF MORINGA OLEIFERA (LAM.) LEAVES COLLECTED FROM PUDUCHERRY REGION, SOUTH INDIA." International Journal of Zoology and Applied Biosciences 3, no. 1 (2018): 1–8. https://doi.org/10.5281/zenodo.1312977.

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Moringa oleifera (Lam.) is a plant that possesses high nutritional value and has been used in folklore medicine to treat various and socio-economic benefits. In the present study, we have investigated the phytochemicals constituents of M. oleifera leaves extracts by biochemical method and Fourier transform infrared spectrophotometer (FTIR). The qualitative phytochemical screening indicated presence of alkaloids, triterpenoids, flavonoids, tannins, saponins, glycosides and carbohydrates in the leaves extract. The quantitative analysis of the M. oleifera leaves aqueous extract showed high conten

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SINGH, Banhishikha, Rajeshwari CHATTERJEE, Niniva DATTA, and Soma BANERJEE. "ANALYSIS OF PHYSIOLOGICAL AND SPECTRAL PARAMETERS ON DIFFERENT ORYZA SATIVA L. VARIETIES UNDER IRON STRESS." Contribuţii Botanice 55 (January 1, 2021): 119–33. http://dx.doi.org/10.24193/contrib.bot.55.8.

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Iron toxicity is an abiotic stress that comes with high concentrations of Fe2+ in the soil solution, and which is a well-recognized problem of rice (Oryza sativa L.) cultivation in the lowlands. Rice varieties differ widely in their ability to tolerate excess iron. The present study was undertaken with four rice varieties, viz. Dhruba, Sampriti, Dhiren and Puspa. The objective was to study the influence of applied high Fe2+ concentrations on the growth, chlorophyll content and antioxidant enzyme activities on these varieties of rice. The spectral reflectivity and absorption of different chemic

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13

Tangpao, Tibet, Nutthatida Phuangsaujai, Sila Kittiwachana, et al. "Evaluation of Markers Associated with Physiological and Biochemical Traits during Storage of ‘Nam Dok Mai Si Thong’ Mango Fruits." Agriculture 12, no. 9 (2022): 1407. http://dx.doi.org/10.3390/agriculture12091407.

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Mango ‘Nam dok mai si thong’ is in high demand worldwide, displaying desirable attributes which include a particularly sweet flavour and visually appealing appearance. Physiological and biochemical changes that occur in the fruit post-harvest are key factors in determining fruit quality and, consequently, predicted shelf life. In order to understand which post-harvest markers play crucial roles during the ripening process, as well as those which are a consequence of disease infection and physical damage caused by essential oil vapour, partial least squares (PLS) correlation models were used. D

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Bednarek, Piotr T., Jacek Zebrowski, and Renata Orłowska. "Exploring the Biochemical Origin of DNA Sequence Variation in Barley Plants Regenerated via in Vitro Anther Culture." International Journal of Molecular Sciences 21, no. 16 (2020): 5770. http://dx.doi.org/10.3390/ijms21165770.

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Tissue culture is an essential tool for the regeneration of uniform plant material. However, tissue culture conditions can be a source of abiotic stress for plants, leading to changes in the DNA sequence and methylation patterns. Despite the growing evidence on biochemical processes affected by abiotic stresses, how these altered biochemical processes affect DNA sequence and methylation patterns remains largely unknown. In this study, the methylation-sensitive Amplified Fragment Length Polymorphism (metAFLP) approach was used to investigate de novo methylation, demethylation, and sequence vari

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15

Varadavenkatesan, Thivaharan, and Vytla Ramachandra Murty. "Production of a Lipopeptide Biosurfactant by a Novel Bacillus sp. and Its Applicability to Enhanced Oil Recovery." ISRN Microbiology 2013 (September 24, 2013): 1–8. http://dx.doi.org/10.1155/2013/621519.

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Biosurfactants are surface-active compounds derived from varied microbial sources including bacteria and fungi. They are secreted extracellularly and have a wide range of exciting properties for bioremediation purposes. They also have vast applications in the food and medicine industry. With an objective of isolating microorganisms for enhanced oil recovery (EOR) operations, the study involved screening of organisms from an oil-contaminated site. Morphological, biochemical, and 16S rRNA analysis of the most promising candidate revealed it to be Bacillus siamensis, which has been associated wit

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Hamza, Reham Z., Fatima S. Alaryani, Reem E. Alotaibi, et al. "Efficacy of Prednisolone/Zn Metal Complex and Artemisinin Either Alone or in Combination on Lung Functions after Excessive Exposure to Electronic Cigarettes Aerosol with Assessment of Antibacterial Activity." Crystals 12, no. 7 (2022): 972. http://dx.doi.org/10.3390/cryst12070972.

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The use of transition metal complexes as therapeutic compounds has become more and more pronounced. These complexes offer a great diversity of uses in their medicinal applications. Electronic cigarettes (ECs) are an electronic nicotine delivery system that contain aerosol (ECR). The ligation behavior of prednisolone, which is a synthetic steroid that is used to treat allergic diseases and asthma arthritis, and its Zn (II) metal complex were studied and characterized based on elemental analysis, molar conductance, Fourier-transform infrared (FT-IR) spectra, electronic spectra, XRD, scanning ele

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Riazunnisa, K., Sudha G. Sai, K. S. V. Krishna Rao, and T. Chandrasekhar. "FTIR study on the cellular chemical composition of Allium cepa L. seedlings under salt stress." Research Journal of Biotechnology 17, no. 7 (2022): 78–85. http://dx.doi.org/10.25303/1707rjbt78085.

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The current study is to investigate the effects of salinity on cellular chemical composition in four cultivars of onion seedlings (Agrifound rose, Bellary, Prema-178 and Nasik red) at different time intervals through the Fourier-transform infrared (FTIR) spectroscopy. Onion seedlings were treated with 0, 50 and 150 mM NaCl for 3 h and 48 h intervals and dried samples were used for analysing the biochemical changes using FTIR spectroscopy. The results provided insights at 50 and 150 mM NaCl and clear differences were noticed in profiles related to lipids, proteins and carbohydrate functional gr

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18

Muhammad Majid, Muafia Mushtaq, Abuzar Tariq, Maira Riaz, Tahira Yasmin, and Muhammad Asim Raza Basra. "Chemical and Biological Evaluation of Albizia lebbeck, Psoralea corylifolia, and Trifolium indicum." Lahore Garrison University Journal of Life Sciences 8, no. 04 (2024): 551–67. https://doi.org/10.54692/lgujls.2024.0804375.

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Herbal medicine, rooted in traditional practices, is increasingly recognized for its diverse therapeutic applications. Albizia lebbeck, Psoralea corylifolia, and Trifolium indicum are valued in traditional medicine for their potential health benefits, including anti-inflammatory, antioxidant, and metabolic regulatory properties. This work delves into the rich spectral fingerprint ofmethanolic extracts from Albizia lebbeck, Psoralea corylifolia, and Trifolium indicum, aiming to elucidate their unique biochemical composition. Employing advanced spectroscopic techniques, including Flame and Atomi

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19

Lozano-Castellanos, Luisa F., Giuseppina Pennisi, Luis Manuel Navas-Gracia, et al. "Physiological and Phytochemical Responses of Calendula officinalis L. to End-of-Day Red/Far-Red and Green Light." Biology 14, no. 8 (2025): 935. https://doi.org/10.3390/biology14080935.

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Calendula officinalis L. is a widely used medicinal plant whose secondary metabolism and morphology are influenced by light. This study evaluated the effects of 2 and 4 h end-of-day (EOD) red/far-red (R:FR) and green (G) light on the growth, physiology, and phytochemical profile of hydroponically grown C. officinalis under a constant red/blue light background, compared with a red/blue control without EOD treatment. Morphological, physiological (gas exchange, chlorophyll fluorescence), biochemical (chlorophyll, anthocyanin), and chemical composition (attenuated total reflectance-Fourier transfo

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Mulaudzi, Takalani, Mulisa Nkuna, Gershwin Sias, Ibrahima Zan Doumbia, Njagi Njomo, and Emmanuel Iwuoha. "Antioxidant Capacity of Chitosan on Sorghum Plants under Salinity Stress." Agriculture 12, no. 10 (2022): 1544. http://dx.doi.org/10.3390/agriculture12101544.

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Salinity stress is one of the major environmental constraints responsible for the reductions in agricultural productivity. Salinity affects crop growth, by causing osmotic and ionic stresses, which induce oxidative damage due to increased reactive oxygen species (ROS). Exogenous application of natural compounds can reduce the negative impacts of salinity stress on plants. This study evaluated the antioxidant capacity of chitosan, a biopolymer to reduce the salt-induced oxidative damage on sorghum plants. Morpho-physiological and biochemical attributes of sorghum plants stressed with 300 mM NaC

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Naim, Nadia, Marie-Laure Fauconnier, Nabil Ennahli, et al. "Chemical Composition Profiling and Antifungal Activity of Saffron Petal Extract." Molecules 27, no. 24 (2022): 8742. http://dx.doi.org/10.3390/molecules27248742.

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Numerous fungal plant pathogens can infect fresh fruits and vegetables during transit and storage conditions. The resulting infections were mainly controlled by synthetic fungicides, but their application has many drawbacks associated with the threatened environment and human health. Therefore, the use of natural plants with antimicrobial potential could be a promising alternative to overcome the side effects of fungicides. In this regard, this study aimed at evaluating the antifungal activity potential of saffron petal extract (SPE) against three mains important fungal pathogens: Rhizopus sto

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Batista de Carvalho, A. L. M., M. Pilling, P. Gardner, et al. "Chemotherapeutic response to cisplatin-like drugs in human breast cancer cells probed by vibrational microspectroscopy." Faraday Discussions 187 (2016): 273–98. http://dx.doi.org/10.1039/c5fd00148j.

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Studies of drug–cell interactions in cancer model systems are essential in the preclinical stage of rational drug design, which relies on a thorough understanding of the mechanisms underlying cytotoxic activity and biological effects, at a molecular level. This study aimed at applying complementary vibrational spectroscopy methods to evaluate the cellular impact of two Pt(ii) and Pd(ii) dinuclear chelates with spermine (Pt<sub>2</sub>Spm and Pd<sub>2</sub>Spm), using cisplatin (cis-Pt(NH<sub>3</sub>)<sub>2</sub>Cl<sub>2</sub>) as a reference compound. Their effects on cellular metabolism were

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Petrushyna, H. O., S. M. Kramarev, and N. M. Maksymova. "Preparation of copper glycinate and study of its effect on the germination of winter barley seeds." Agrology 7, no. 2 (2024): 73–76. http://dx.doi.org/10.32819/202410.

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We analyzed the encrustation of winter barley seeds, which includes its preliminary treatment with cuprum glycinate, with the purpose of increasing yield and biochemical indicators of grain, and also improving the ecological condition of the soil. The objective of the research was to select methods for the synthesis of cuprum glycinate, study its chemical composition and the possibility of using this compound as a chelated micro-fertilizer for pre-sowing encrustation of winter barley seed as part of a tank mixture. Two well-known synthesis methods were used to obtain cuprum glycinate. The firs

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Miller, Melvin P. "Infrared Spectra of 34S Thionophosphate Esters." Applied Spectroscopy 48, no. 12 (1994): 1553–55. http://dx.doi.org/10.1366/0003702944027796.

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Since we had hoped to be able to use the P=S frequency to monitor the progress of sulfur addition reactions, we undertook the present study to firmly establish the positions of that band in the spectra of compounds of interest. To be sure, assignment of a given band in the spectrum of a complex molecule to a particular localized motion is only an approximation. Nevertheless, we hoped that the spectra of isotopically substituted compounds might provide some information about the extent to which the P=S vibration could be considered to be an isolated motion. In addition we hoped that some insigh

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Prabhakar, S., N. Jain, and R. A. Singh. "Infrared spectra in monitoring biochemical parameters of human blood." Journal of Physics: Conference Series 365 (May 18, 2012): 012059. http://dx.doi.org/10.1088/1742-6596/365/1/012059.

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Nyquist, Richard A. "Book Reviews: Infrared and Raman Spectra of Inorganic and Coordination Compounds, Infrared and Raman Spectra of Inorganic and Coordination Compounds." Applied Spectroscopy 52, no. 3 (1998): 124A—125A. http://dx.doi.org/10.1366/0003702981943761.

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Bodnar, I. V., A. A. Feshchenko, V. V. Khoroshko, and A. G. Karoza. "INFRARED REFLECTION SPECTRA OF MnxFe1–xIn2S4 SOLID SOLUTIONS." Journal of Applied Spectroscopy 89, no. 5 (2022): 646–50. http://dx.doi.org/10.47612/0514-7506-2022-89-5-646-650.

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Large-block crystals of FeIn2S4, MnIn2S4 ternary compounds and MnxFe1–xIn2S4 solid solutions are grown by the method of directional crystallization (horizontal Bridgman method). The structure of the obtained crystals is determined by X-ray diffraction analysis. It is shown that both the starting compounds and solid solutions based on them crystallize in the cubic spinel structure. The IR reflection spectra in the frequency range 50–500 cm–1 of crystals of ternary compounds FeIn2S4, MnIn2S4 and solid solutions MnxFe1–xIn2S4 are studied. The frequencies of transverse (ωTO) and longitudinal (ωLO)

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Nyquist, Richard A. "Factors Affecting Infrared Group Frequencies: Carbonyl Stretching Absorption Bands." Applied Spectroscopy 40, no. 3 (1986): 336–39. http://dx.doi.org/10.1366/0003702864509105.

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The data presented show that infrared group frequencies are only applicable for specific spectra structure identification when the infrared spectrum of the unknown material is recorded in the same manner as that used to record the infrared spectra used to build the IR group-frequency data base. IR spectra recorded of compounds in different phases such as the liquid, solution, and vapor phase are useful in helping one to determine whether a compound exists in more than one rotational molecular configuration such as rotation of a CHCl2 group about a C-C=O single bond in compounds of form CHCl2-C

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Vašíčková, Soňa, Vladimír Pouzar, Ivan Černý, Pavel Drašar, and Miroslav Havel. "Infrared spectra of compounds with the methoxymethyl protecting group." Collection of Czechoslovak Chemical Communications 51, no. 1 (1986): 90–100. http://dx.doi.org/10.1135/cccc19860090.

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Infrared spectra of a series of compounds containing the CH3OCH2O- (MOM-O-) group have been studied. All the spectra exhibit three characteristic strong absorption bands due to coupled stretching vibrations of C-O-C-O-C grouping in the region 1 200 - 1 000 cm-1.

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Coleman, W. M., Bert M. Gordon, and Brian M. Lawrence. "Examinations of the Matrix Isolation Fourier Transform Infrared Spectra of Organic Compounds: Part XII." Applied Spectroscopy 43, no. 2 (1989): 298–304. http://dx.doi.org/10.1366/0003702894203273.

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Matrix isolation Fourier transform infrared spectra (MI/FT-IR), mass spectra (MS), carbon-13 Nuclear Magnetic Resonance (13C-NMR) spectra, condensed-phase infrared spectra, and vapor-phase infrared (IR) spectra are presented for a series of terpene compounds. Subtle differences in positional and configurational isomers commonly found with terpenes could be easily detected by the MI/FT-IR spectra. The results are comparable in some aspects to those obtainable from 13C-NMR and thin-film IR; however, most importantly, they are acquired at the low nanogram level for MI/FT-IR, as compared to the mi

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Zhang, Xiang-Zhi, Ai-Jun Ma, Na Feng, and Bao Qiong Li. "N-way partial least squares combined with new self-construction strategy—A promising approach of using near infrared spectral data for quantitative determination of multiple compounds." Journal of Near Infrared Spectroscopy 28, no. 2 (2019): 113–21. http://dx.doi.org/10.1177/0967033519896037.

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Because of the complexity of near infrared spectral data, effective strategies are necessary proposed for accurate quantitative analysis purpose. This work explores a new self-construction strategy for the arrangement of conventional near infrared two-dimensional spectra into new self-constructed three-dimensional spectra, and investigate the feasibility of N-way partial least squares combined with the new self-constructed three-dimensional near infrared spectra for obtaining accurate quantitative determination results. A proof-of-concept model system, the quantitative analysis of four compone

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Sherman, Jeffrey W., James A. de Haseth, and David G. Cameron. "A Window Fourier-Domain Infrared Search System." Applied Spectroscopy 43, no. 8 (1989): 1311–16. http://dx.doi.org/10.1366/0003702894204290.

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A search system is presented that utilizes Fourier-domain infrared data. This system removes or nulls features from infrared absorbance spectra that are found to be dominant and similar in the spectra of interest. This method enhances spectral differences. An example of one such region that is commonly nulled is the C-H stretch region of the spectra. These bands occur in organic compounds and, while generally being quite strong, contribute little to differentiation between spectra. More than one region may be nulled with this system, and the regions are chosen by visual inspection of the spect

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Ito, M., H. Sasaki, and M. Takahashi. "Infrared spectra and dimer structure of reduced viologen compounds." Journal of Physical Chemistry 91, no. 15 (1987): 3932–34. http://dx.doi.org/10.1021/j100299a002.

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Seddon, Kenneth R. "Infrared and Raman Spectra of Inorganic and Coordination Compounds." Journal of Organometallic Chemistry 326, no. 2 (1987): C92—C93. http://dx.doi.org/10.1016/0022-328x(87)80177-8.

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Katritzky, A. R., and P. Simmons. "The infrared spectra of benzenoid and heteroaromatic nitro-compounds." Recueil des Travaux Chimiques des Pays-Bas 79, no. 4 (2010): 361–68. http://dx.doi.org/10.1002/recl.19600790404.

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Reeves III, James B. "Influence of Water on the Near Infrared Spectra of Model Compounds." Journal of AOAC INTERNATIONAL 76, no. 4 (1993): 741–48. http://dx.doi.org/10.1093/jaoac/76.4.741.

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Abstract The application of near infrared spectroscopy (NIRS) to high-moisture samples (i.e., silages) has shown that accuracy does not match that of dried materials. Examination of spectra does not indicate absorbance levels to be the problem. The objective of this effort was to determine the effect of water on the spectra of model compounds. Near infrared spectra were taken using a Digi-Lab FTS-65 Fourier transform spectrometer. Liquids were examined by transmission and solids by reflectance. Examination of organic acids, alcohols, ketones, amines, and amides showed that the presence of wate

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Howard-Lock, H. E., C. J. L. Lock, M. L. Martins, P. S. Smalley, and R. A. Bell. "Amino-acid zwitterion equilibria: vibrational and nuclear magnetic resonance studies of methyl-substituted thiazolidine-4-carboxylic acids." Canadian Journal of Chemistry 64, no. 6 (1986): 1215–19. http://dx.doi.org/10.1139/v86-201.

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Infrared and Raman spectra (4000–100 cm−1) of solid samples of six different methyl substituted thiazolidine products of D-penicillamine and L-cysteine hydrochloride have been observed and assigned. Infrared spectra in D2O solutions have been obtained for comparison in order to study the amino-acid zwitterion equilibria. Proton and 13C nmr spectra for the compounds have also been measured.

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George, Lisa, K. Sankaran, K. S. Viswanathan, and C. K. Mathews. "Matrix-Isolation Infrared Spectroscopy of Organic Phosphates." Applied Spectroscopy 48, no. 1 (1994): 7–12. http://dx.doi.org/10.1366/0003702944027705.

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Matrix-isolation infrared spectra of trimethyl phosphate (TMP), triethyl phosphate (TEP), and tri- n-butyl phosphate (TBP), in argon and nitrogen matrices, are reported for the first time. The peak widths of the sharpest features in our matrix-isolated spectra are typically 2 cm−1, compared with peak widths of 40 cm−1 seen in liquids for these compounds. Comparison with the vapor-phase spectrum of TMP reported earlier indicates that TMP is trapped in two different conformations in these matrices. Similar spectra were also obtained for TEP. Our matrix-isolated spectra indicate that the intramol

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39

Chen, Xin, Chiming Wang, Yuxiang Chen, Dongdong Qi, and Jianzhuang Jiang. "Vibrational spectra of alkylamino substituted phthalocyanine compounds: Density functional theory calculations." Journal of Porphyrins and Phthalocyanines 22, no. 09n10 (2018): 771–76. http://dx.doi.org/10.1142/s1088424618500591.

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The infrared spectra of tetrakis(dibutylamino) phthalocyanine and octakis(dibutylamino) compounds were studied via theoretical investigations. The results reveal deep fusion of the peripheral alkylamino moieties with the phthalocyanine chromophore in the tetrakis(dibutylamino)- but not in the octakis(dibutylamino)-phthalocyanine compounds. The successive localized molecular orbitals (LMO) and bond order analyses give support for the infrared vibrational results.

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40

Savoie, Carole, and Christian Reber. "Near-infrared and visible luminescence and absorption spectroscopy of low-coordinate organometallic rhenium compounds." Canadian Journal of Chemistry 74, no. 1 (1996): 28–31. http://dx.doi.org/10.1139/v96-003.

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Low-temperature absorption and luminescence spectra of four organorhenium compounds were measured in the visible and near-infrared spectral regions. Effects of the temperature, formal oxidation state, and the oxo-, bromo-, and organic ligands on the metal center are reported. The emission maxima of the four compounds show a large variation between 9000 and 14 200 cm−1. Stokes shifts show a smaller variation from 3700 to 4200 cm−1. Luminescence intensities are used to qualitatively characterize nonradiative relaxation processes. Key words: luminescence spectra, absorption spectra, organorhenium

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41

Baloban, Mikhail, Daria M. Shcherbakova, Sergei Pletnev, Vladimir Z. Pletnev, J. Clark Lagarias, and Vladislav V. Verkhusha. "Designing brighter near-infrared fluorescent proteins: insights from structural and biochemical studies." Chemical Science 8, no. 6 (2017): 4546–57. http://dx.doi.org/10.1039/c7sc00855d.

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42

Kiswandono, Agung Abadi. "ANALISIS CLUSTER TERHADAP SPEKTRA INFRAMERAH FENOL, POLIEUGENOL DAN INTERAKSI KEDUANYA SEBUAH TINJAUAN STATISTIK." Jurnal Sains Natural 2, no. 1 (2017): 47. http://dx.doi.org/10.31938/jsn.v2i1.39.

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Cluster Analisysis of Phenol Infrared Spectra, Poliugenol and Both Interction Overview Statistics Identification had been carried out for eight different compounds using infrared spectrophotometer are phenol, polieugenol, and the mole ratio of phenol and polieugenol, and the results were analyzed using cluster analysis. The purpose of this study was to obtain infrared absorption on the interaction of these compounds, determine their group based on infrared absorption spectra and determine the characteristics of the resulting cluster. The results showed that the cluster analysis on the basis of

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43

CHEN, YUNQING, HAIBO LIU, and X. C. ZHANG. "EXPERIMENTAL AND DENSITY FUNCTIONAL THEORY STUDY ON THz SPECTRA OF 4-NT AND 2, 6-DNT." International Journal of High Speed Electronics and Systems 17, no. 02 (2007): 283–91. http://dx.doi.org/10.1142/s0129156407004503.

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Terahertz (THz) spectra of two TNT-related compounds (4-NT and 2, 6-DNT) are investigated using Fourier transform infrared spectroscopy (FTIR, 1.5-20 THz) and THz time-domain spectroscopy (THz-TDS, 0.2-2.5 THz). Density functional theory (DFT) is applied to calculate THz spectra of these two compounds. Transmission, diffuse reflection, and calculated spectra are in good agreement. The measured THz resonance lines from the transmission and diffuse reflectance spectra are assigned based on the DFT simulation. The observed THz signatures imply that THz spectrum has potential for standoff detectio

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44

Radenovic, Cedomir, Georgij Maksimov, Evgenij Tyutyaev, et al. "Structural properties of maize hybrids established by infrared spectra." Zbornik Matice srpske za prirodne nauke, no. 129 (2015): 35–44. http://dx.doi.org/10.2298/zmspn1529035r.

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This paper discusses the application of the infrared (IR) spectroscopy method for determination of structural properties of maize hybrid grains. The IR spectrum of maize grain has been registered in the following hybrids: ZP 341, ZP 434 and ZP 505. The existence of spectral bands varying in both number and intensity, as well as their shape, frequency and kinetics have been determined. They have been determined by valence oscillations and deformation oscillations of the following organic compounds: alkanes, alkenes, alkynes, amides, alcohols, ethers, carboxylic acids, esters and aldehydes and k

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45

Štokr, Jan, Bohdan Schneider, Danica Doskočilová, Stanislav Ševčík, and Martin Přádný. "Conformation of dimethylaminoethanol, its methyl ether and of the corresponding trimethylammonium iodides. NMR and vibrational spectra." Collection of Czechoslovak Chemical Communications 52, no. 5 (1987): 1256–71. http://dx.doi.org/10.1135/cccc19871256.

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By analysis of fully coupled 13C NMR spectra and of 1H NMR spectra of dimethylaminoethanol, its methyl ether, and of the corresponding trimethylammonium iodides, populations of isomers generated by rotation about the bonds N-CH2, CH2-CH2, and CH2-O in these compounds in solution were determined. By analysis of Raman and infrared spectra of these compounds in the solid and liquid states it was found that in the crystalline state these compounds form structures with parallel N-CH3 and O-CH2 bonds, which are also preferred in the liquid state.

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46

Carnimeo, Ivan, Cristina Puzzarini, Nicola Tasinato, et al. "Anharmonic theoretical simulations of infrared spectra of halogenated organic compounds." Journal of Chemical Physics 139, no. 7 (2013): 074310. http://dx.doi.org/10.1063/1.4817401.

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47

Taulane, J. P., Y. V. Venkatachalapathi, and M. Goodman. "A Gas-Phase Cell for Infrared Spectra of Sublimable Compounds." Applied Spectroscopy 40, no. 1 (1986): 91–93. http://dx.doi.org/10.1366/0003702864815394.

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48

Varmuza, K., P. N. Penchev, and H. Scsibrany. "Maximum Common Substructures of Organic Compounds Exhibiting Similar Infrared Spectra." Journal of Chemical Information and Computer Sciences 38, no. 3 (1998): 420–27. http://dx.doi.org/10.1021/ci9700889.

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49

Bratu, I., F. Veiga, C. Fernandes, A. Hernanz та J. M. Gavira. "Infrared spectroscopic study of triacetyl‒β‒cyclodextrin and its inclusion complex with nicardipine". Spectroscopy 18, № 3 (2004): 459–67. http://dx.doi.org/10.1155/2004/727869.

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Infrared spectra of inclusion compounds of triacetyl‒β‒cyclodextrin with nicardipine hydrochloride were compared and analysed with those corresponding to their physical mixture and the pure compounds, respectively. Different O–H stretching vibrations, assigned to water molecules, were located in the Fourier Transform Infrared (FT IR) spectra of triacetyl‒β‒cyclodextrin, and its inclusion complex with nicardipine obtained by spray‒drying (SD) method. Water molecules involved in various hydrogen bonds environments change their status during complexation process. Evidences are observed of the for

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50

Klampfer, Peter, Primož Benkič, Antonija Lesar, Bogdan Volavšek, Maja Ponikvar, and Adolf Jesih. "New Alkali Metal and Tetramethylammonium Tetrafluoroarsenates(III), Their Vibrational Spectra and Crystal Structure of Cesium Tetrafluoroarsenate(III)." Collection of Czechoslovak Chemical Communications 69, no. 2 (2004): 339–50. http://dx.doi.org/10.1135/cccc20040339.

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The title compounds were synthesised by the reaction of alkali metal and tetramethylammonium fluorides with liquid AsF3. Crystal structure of CsAsF4 was determined. Raman and infrared spectra of the title compounds were analysed.

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