Biomedical Vibrational Spectroscopy in the Era of Artificial Intelligence.

Biomedical vibrational spectroscopy has come of age. The past twenty years have brought many advancements and new developments and now its practitioners face a new challenge: artificial intelligence. Artificial intelligence has the capability to detect meaningful relationships in data sets such as those found in an infrared or Raman spectrum.

The road to medical vibrational spectroscopy--a history.

The present Editorial chronicles the journey from classical infrared and Raman spectroscopy to medical vibrational spectroscopy, as experienced by a contemporary witness of the times. During the second half of the last century vibrational biospectroscopy became a topic of increasing global interest and has spawned a number of international conferences of which the most recent, SPEC 2012 - Shedding New Light on Disease, constitutes the basis of the present themed issue.

DNA fragmentation in developing lung fibroblasts exposed to Stachybotrys chartarum (atra) toxins.

Stachybotrys chartarum (atra) is a toxic mold that grows on water-damaged cellulose-based materials. Research has revealed also that inhalation of S. chartarum spores caused marked changes in respiratory epithelium, especially to developing lungs.

Molecular and chemical characterization of blood cells by infrared spectroscopy: a new optical tool in hematology.

Infrared (IR) spectroscopy has made important contributions to the arena of hematology in the past decade. The normal physiology and pathologic modifications of the three cellular elements in blood, i.e.

Stachybotrys chartarum alters surfactant-related phospholipid synthesis and CTP:cholinephosphate cytidylyltransferase activity in isolated fetal rat type II cells.

Stachybotry chartarum, a fungal contaminant of water-damaged buildings commonly grows on damp cellulose-containing materials. It produces a complex array of mycotoxins. Their mechanisms of action on the pulmonary system are not entirely clear.

Distinguishing and grading human gliomas by IR spectroscopy.

As a molecular probe of tissue composition, IR spectroscopy can potentially serve as an adjunct to histopathology in detecting and diagnosing disease. This study demonstrates that cancerous brain tissue (astrocytoma, glioblastoma) is distinguishable from control tissue on the basis of the IR spectra of thin tissue sections. It is further shown that the IR spectra of astrocytoma and glioblastoma affected tissue can be discriminated from one another, thus providing insight into the malignancy grade of the tissue.

Infrared spectroscopic identification of beta-thalassemia.

Background: The aim of this study was to investigate the potential of infrared (IR) spectroscopy as a fast and reagent-free adjunct tool in the diagnosis and screening of beta-thalassemia.

Methods: Blood was obtained from 56 patients with beta-thalassemia major, 1 patient with hemoglobin H disease, and 35 age-matched controls. Hemolysates of blood samples were centrifuged to remove stroma.

Immunofluorescence imaging as a tool for studying the pharmacokinetics of a human monoclonal single chain fragment antibody.

We have used immunofluorescence imaging to study binding of a monoclonal antibody fragment to subcutaneously implanted human melanoma cells in nude mice. The data acquired using this nontraditional approach was then analyzed using standard pharmacokinetic methods to produce estimates of k(e) (0.06h(-1)), t 1/2 (16 h), mean residency time (23.

Infrared spectroscopy: shedding light on synovitis in patients with rheumatoid arthritis.

Objectives: It is difficult to determine the extent of synovial involvement early in the course of rheumatoid arthritis. A spectroscopic technique was used to characterize the synovium of the small finger joints in both early and late rheumatoid arthritis. This synovium was also compared against normal joints.

Regional variations in myocardial tissue oxygenation mapped by near-infrared spectroscopic imaging.

Near-infrared fibre-optic single point spectroscopy has been widely exploited to provide information regarding blood volume and oxygenation in vivo, but it does not provide any information on regional differences in perfusion. We have combined the chemical sensitivity of spectroscopy with the spatial sensitivity of imaging to generate maps of regional cardiac oxygenation. Spectroscopic images were acquired for isolated, arrested, blood-perfused porcine hearts (n=4) over the wavelength range 650 and 1050 nm.

Near-IR spectroscopic imaging for skin hydration: the long and the short of it.

Near-IR spectroscopic methods have been developed to determine the degree of hydration of human skin in vivo. Noncontact reflectance spectroscopic imaging was used to investigate the distribution of skin moisture as a function of location. A human study in a clinical setting has generated quantitative data showing the effects of a drying agent and a moisturizer on delineated regions of the forearms of eight volunteers.

Eliminating the issue of skin color in assessment of the blanch response.

Objective: The high melanin concentration in dark skin prevents the observation of a blanch response to light finger pressure. The objective of this study was to determine the ability of visible and near-infrared spectroscopy (the technique used in pulse oximetry) to monitor a blanch response from in vivo spectra in individuals with light and dark skin, based on changes in blood volume.

Design: A quasi-experimental repeated measures design was employed.

Reagent-free, simultaneous determination of serum cholesterol in HDL and LDL by infrared spectroscopy.

Background: The purpose of this study was to assess the feasibility of infrared (IR) spectroscopy for the simultaneous quantification of serum LDL-cholesterol (LDL-C) and HDL-cholesterol (HDL-C) concentrations.

Methods: Serum samples (n = 90) were obtained. Duplicate aliquots (5 microL) of the serum specimens were dried onto IR-transparent barium fluoride substrates, and transmission IR spectra were measured for the dry films.

Spectroscopic assessment of cutaneous hemodynamics in the presence of high epidermal melanin concentration.

Background: For individuals with lightly pigmented skin, early stage pressure ulcers appear as areas of redness, which have compromised microcirculation and do not blanch in response to pressure. The lack of a visible blanch (hemodynamic response) to pressure is a convenient diagnostic test for stage I sores. However, the blanch response is not visually apparent in people with highly pigmented skin color due to the overwhelming contribution of melanin to the reflectance of skin.

Visualization of cutaneous hemoglobin oxygenation and skin hydration using near-infrared spectroscopic imaging.

Background/aims: The visualization of skin hemodynamics and tissue water content has important implications in a number of areas of dermatology, plastic surgery, and clinical skin evaluation. The aim of this study was to develop instrumentation and techniques for infrared spectroscopic imaging, and to evaluate whether they can be used to make objective assessments of skin health, perhaps even before clinical signs are evident.

Methods: A liquid-crystal tunable filter was mounted on the front of the objective lens of an infrared-sensitive charge-coupled device digital camera.

Quantitative determination of apoptosis on leukemia cells by infrared spectroscopy.

Quantitation of apoptotic cell death in vivo has become an important issue for patients with acute leukemia. We describe herein a new analytical method, based on infrared (IR) spectroscopy, to estimate the percentage of apoptotic leukemic cells in two different cell lines (CEM and K562), induced with etoposide (VP-16). As the percentage of apoptosis increases, the protein structure shifts from dominantly beta-sheet to unordered (random coil), the overall lipid content increases and the amount of detectable DNA decreases.

Near infrared spectroscopic assessment of hemodynamic changes in the early post-burn period.

Near infrared reflectance spectroscopy and imaging was used to assess non-invasively the hemodynamic changes that occur in the early post-burn period in cutaneous burn injuries of varying depth. An acute porcine model was used to demonstrate the potential of near infrared spectroscopy and imaging to accurately determine the change in tissue oxygenation, blood volume and tissue water content following a thermal injury. Near infrared spectroscopy was used to monitor tissue at discrete locations, while spectroscopic imaging was able to survey large areas of tissue.

Analysis of pulmonary surfactant by Fourier-transform infrared spectroscopy following exposure to Stachybotrys chartarum (atra) spores.

Lung cells are among the first tissues of the body to be exposed to air-borne environmental contaminants. Consequently the function of these cells may be altered before other cells are affected. As gas exchange takes place in the lungs, changes in cellular function may have serious implications for the processes of oxygen uptake and carbon dioxide elimination.

Infrared and Raman imaging of biological and biomimetic samples.

Established methods for imaging of biological or biomimetic samples, such as fluorescence and optical microscopy, magnetic resonance imaging (MRI), X-ray tomography or positron emission tomography (PET) are currently complemented by infrared (both near-IR and mid-IR) as well as Raman spectroscopic imaging, whether it be on a microscopic or macroscopic scale. These vibrational spectroscopic techniques provide a wealth of information without a priori knowledge of either the spectral data or the composition of the sample. Infrared radiation does not harm the organism, no electric potential needs to be applied, and the measurements are not influenced by electromagnetic fields.

Towards non-invasive screening of skin lesions by near-infrared spectroscopy.

A noninvasive tool for skin tumor diagnosis would be a useful clinical adjunct. The purpose of this study was to determine whether near-infrared spectroscopy can be used to noninvasively characterize skin lesions. In vivo visible- and near-infrared spectra (400--2500 nm) of skin neoplasms (actinic keratoses, basal cell carcinomas, banal common acquired melanocytic nevi, dysplastic melanocytic nevi, actinic lentigines, and seborrheic keratoses) were collected by placing a fiberoptic probe on the skin.

Noninvasive assessment of cardiac ischemic injury using (87)Rb and (23)Na MR imaging, (31)P MR, and optical spectroscopy.

The aim of the study was to compare and analyze different noninvasive indices of cell damage in the isolated pig heart model of regional ischemia. We used (23)Na and (87)Rb MR imaging to evaluate Na(+)/K(+) balance, (31)P MR spectroscopy to measure energetics, and optical spectroscopy to assess oxymyoglobin (MbO(2)). Hearts were subjected to 120-min occlusion of the left anterior descending artery and were then reperfused for 120 min.