Article
Biochemistry & Molecular Biology
Heping Li, Tian Ning, Fan Yu, Yishen Chen, Baoping Zhang, Shuang Wang
Summary: The study confirmed that Raman spectroscopy combined with multivariate analysis technology has significant potential for improving the efficiency and performance of breast cancer diagnosis.
Article
Spectroscopy
Yamin Lin, Jiamin Gao, Shuzhen Tang, Xin Zhao, Mengmeng Zheng, Wei Gong, Shusen Xie, Siqi Gao, Yun Yu, Juqiang Lin
Summary: A new serum protein analysis method combined with SERS technology was used for breast cancer detection. The diagnostic model established through multivariate statistical analysis showed promising performance in classifying breast cancer, providing a potential new approach for diagnosis.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2021)
Article
Engineering, Biomedical
L. G. De la Torre-Gutierrez, B. E. Martinez-Zerega, D. O. Oseguera-Galindo, A. Aguilar-Lemarroy, L. F. Jave-Suarez, L. A. Torres-Gonzalez, J. L. Gonzalez-Solis
Summary: This study monitored breast cancer patients undergoing chemotherapy using blood serum sample Raman spectroscopy and multivariate analysis. The results showed good discrimination between healthy individuals and clinically diagnosed breast cancer patients, with sensitivity and specificity rates of 87.14% and 90.55% respectively. Although no shifts in peak positions were found, differences in intensity were observed in certain peaks associated with amino acids, phospholipids, and glutathione. Monitoring six breast cancer patients during their chemotherapy treatments confirmed the potential correlation between the intensity of the 450 cm(- 1) Raman peak and the cancer progression. Overall, Raman spectroscopy and multivariate analysis were found to be effective in breast cancer detection and monitoring, providing less invasive alternatives to other methods.
LASERS IN MEDICAL SCIENCE
(2022)
Article
Chemistry, Analytical
Qing He, Wen Yang, Weiquan Luo, Stefan Wilhelm, Binbin Weng
Summary: This study introduces a rapid method using machine-learning-assisted Raman spectroscopic imaging to distinguish cancer cells from non-cancer cells, efficiently retrieving biomolecular information for cell line differentiation.
Article
Medicine, Research & Experimental
Santosh Kumar Paidi, Joel Rodriguez Troncoso, Mason G. Harper, Zhenhui Liu, Khue G. Nguyen, Sruthi Ravindranathan, Lisa Rebello, David E. Lee, Jesse D. Ivers, David A. Zaharoff, Narasimhan Rajaram, Ishan Barman
Summary: The use of Raman spectroscopy and machine learning allows for the identification of metastatic phenotype in tumors. Spectral analysis of tumors can predict their metastatic potential and evaluate the risk of metastasis in primary tumor biopsies of clinical patients.
Article
Spectroscopy
Jia Lei, Dafu Yang, Rui Li, ZhaoXia Dai, Chenlei Zhang, Zhanwu Yu, Shifa Wu, Lu Pang, Shanshan Liang, Yi Zhang
Summary: This study utilized SERS technology to analyze lung cancer and normal serums, revealing biochemical differences between them and establishing an identification model, which offers a new approach for clinical diagnosis.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2021)
Article
Spectroscopy
Alessandro Caldarone, Francesca Piccotti, Carlo Morasso, Marta Truffi, Federico Sottotetti, Chiara Guerra, Sara Albasini, Manuela Agozzino, Laura Villani, Fabio Corsi
Summary: This study investigated the composition of microcalcifications in male and female breast cancer patients using Raman spectroscopy. The results showed differences in the amount and distribution of calcium minerals between the two groups, with male patients having more organic material (collagen) in their MCs. The study highlights the need for further research specifically targeting the understanding of male breast cancer.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2021)
Article
Chemistry, Analytical
Yangcenzi Xie, Yu Wen, Xiaoming Su, Chao Zheng, Ming Li
Summary: A machine learning-driven surface-enhanced Raman spectroscopy (SERS)-integrated strategy is developed for label-free detection of cellular HER2, achieving high accuracy in cell identification and classification for HER2+ breast cancer. The combination of label-free SERS detection and machine learning-driven analysis enables longitudinal monitoring of therapeutic efficacy, aiding in decision-making and management.
ANALYTICAL CHEMISTRY
(2022)
Article
Spectroscopy
Nerea Iturrioz-Rodriguez, Daniele De Pasquale, Pietro Fiaschi, Gianni Ciofani
Summary: The study used Raman spectroscopy to compare GBM cells with healthy astrocytes, identifying that the region between 1000 and 1300 cm(-1) can effectively distinguish cancer cells from healthy cells. The model achieved an average accuracy of 92.5% in discriminating cancer cells from healthy cells.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2022)
Article
Spectroscopy
R. Hinojosa-Nava, E. Mejia-Uriarte, A. R. Vazquez-Olmos, R. Y. Sato-Berru
Summary: This study investigated the hydrogen release process of ammonia borane using Raman spectroscopy, principal component analysis, and molecular simulation. Three stages of release were observed, and it was found that a faster heating rate helped reduce distortion in the release process. Molecular simulation suggested that dihedral rotation and stretching of the hydrogen bonds could occur before the first release step.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2023)
Article
Spectroscopy
Martina Bonsignore, Sebastiano Trusso, Claudia De Pasquale, Guido Ferlazzo, Alessandro Allegra, Vanessa Innao, Caterina Musolino, Domenico Franco, Laura Maria De Plano, Salvatore Pietro Paolo Guglielmino, Fortunato Neri, Enza Fazio
Summary: In this study, micro-Raman spectroscopy was used to explore the spectral differences between different subsets of multiple myeloma plasma cells. The differences were analyzed through principal component analysis, revealing changes in protein and lipid contributions. This technology can be proposed as a diagnostic tool for rapid cell identification and assessment of intracellular biochemical changes in cancer cells.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2021)
Article
Biochemical Research Methods
Kirsty Milligan, Samantha J. Van Nest, Xinchen Deng, Ramie Ali-Adeeb, Phillip Shreeves, Samantha Punch, Nathalie Costie, Nils Pavey, Juanita M. Crook, David M. Berman, Alexandre G. Brolo, Julian J. Lum, Jeffrey L. Andrews, Andrew Jirasek
Summary: High-dose-rate brachytherapy (HDR-BT) is a promising alternative treatment for patients with intermediate risk prostate cancer. However, there is currently no bio-marker based method to monitor treatment response in HDR-BT, and the biochemical changes that occur in hypo-fractionated HDR-BT are not well understood. This pilot study aims to assess the effectiveness of Raman spectroscopy combined with principal component analysis and random-forest classification in identifying radiation response profiles after a single dose of 13.5 Gy.
JOURNAL OF BIOPHOTONICS
(2022)
Article
Chemistry, Analytical
Muhammad Naeim Mohamad Asri, Noor Fadhilah Nestrgan, Nor Azman Mohd Nor, Rajesh Verma
Summary: The combination of Raman spectroscopy and chemometrics has shown great potential in rapidly and non-destructively discriminating between inkjet, laser, and photocopier printed documents. This study successfully differentiated between different types of printed documents, accurately identifying different pigments in laser, inkjet, and photocopier print samples. The chemometric approach used in this study holds promise for classification and individualization of printed documents, with potential applications in forensic investigations at crime scenes.
MICROCHEMICAL JOURNAL
(2021)
Article
Biochemical Research Methods
Mei-Huan Wang, Xiao Liu, Qian Wang, Hua-Wei Zhang
Summary: This study investigated the diagnostic efficiency of Raman spectroscopy for breast cancer. The meta-analysis results showed that Raman spectroscopy has high sensitivity and specificity for breast cancer diagnosis and may be an effective and accurate tool.
ANALYTICAL AND BIOANALYTICAL CHEMISTRY
(2022)
Article
Spectroscopy
Ning Yang, Cedric Guerin, Ninel Kokanyan, Patrick Perre
Summary: An in-situ monitoring model of alcoholic fermentation based on Raman spectroscopy was developed in this study. By optimizing the acquisition parameters and using standard solutions to construct a learning database, the model achieved good prediction results using principal component analysis and partial least squares methods.
SPECTROCHIMICA ACTA PART A-MOLECULAR AND BIOMOLECULAR SPECTROSCOPY
(2024)
Article
Biotechnology & Applied Microbiology
Halina Abramczyk, Anna Imiela, Beata Brozek-Pluska, Monika Kopec
Review
Pathology
Halina Abramczyk, Beata Brozek-Pluska, Arkadiusz Jarota, Jakub Surmacki, Anna Imiela, Monika Kopec
EXPERT REVIEW OF MOLECULAR DIAGNOSTICS
(2020)
Article
Oncology
Halina Abramczyk, Anna Imiela, Beata Brozek-Pluska, Monika Kopec, Jakub Surmacki, Agnieszka Sliwinska
Article
Chemistry, Physical
Beata Brozek-Pluska, Adam Dziki, Halina Abramczyk
JOURNAL OF MOLECULAR LIQUIDS
(2020)
Article
Biochemistry & Molecular Biology
Beata Brozek-Pluska, Arkadiusz Jarota, Rafal Kania, Halina Abramczyk
Article
Chemistry, Physical
B. Brozek-Pluska
JOURNAL OF MOLECULAR STRUCTURE
(2020)
Article
Oncology
Halina Abramczyk, Beata Brozek-Pluska, Monika Kopec, Jakub Surmacki, Maciej Blaszczyk, Maciej Radek
Summary: This study demonstrated the impact of cancerogenesis on the redox status of mitochondrial cytochromes in human breast cancer and brain tumors using Raman spectroscopy and imaging. The correlation between cytochromes Raman bands intensity and malignancy grade was shown. Raman imaging provides additional insight into the biology of astrocytomas and breast ductal invasive cancer for noninvasive grading and differential diagnosis.
Article
Biochemistry & Molecular Biology
Karolina Beton, Beata Brozek-Pluska
Summary: Raman spectroscopy can play an important role in clinical diagnostics by differentiating between normal and cancerous samples through the identification of biomarkers, thus aiding in the diagnosis of colorectal cancer.
INTERNATIONAL JOURNAL OF MOLECULAR SCIENCES
(2021)
Article
Oncology
Halina Abramczyk, Jakub Maciej Surmacki, Beata Brozek-Pluska, Monika Kopec
Summary: Research using Raman scattering revealed a correlation between the redox status of cytochromes in cancer cells and cancer aggressiveness, with increased reduced cytochrome c concentration observed in cancer tissues.
Article
Multidisciplinary Sciences
H. Abramczyk, B. Brozek-Pluska, M. Kopec
Summary: Cytochrome c plays a key role in maintaining life and cell death, but its precise roles under different conditions are not fully understood. This study used Raman spectroscopy and imaging to investigate changes in mitochondrial cytochromes in human breast tissues and cells, revealing their relevance to breast cancer development. These findings have important implications for understanding cytochrome function, mitochondrial dysfunction, and cancer development.
SCIENTIFIC REPORTS
(2022)
Article
Biochemistry & Molecular Biology
Karolina Beton-Mysur, Beata Brozek-Pluska
Summary: Cancers of the digestive tract, such as colorectal and gastric cancer, can be linked to oxidative stress. Raman spectroscopy was used to analyze tissue samples and cells from the human colon and stomach, revealing differences between healthy and cancerous tissues. The study also demonstrated the anti-cancer properties of antioxidants Vitamin C and E.
Article
Chemistry, Physical
Pawel Krzyczmonik, Marta Klisowska, Andrzej Leniart, Katarzyna Ranoszek-Soliwoda, Jakub Surmacki, Karolina Beton-Mysur, Beata Brozek-Pluska
Summary: The research aimed to develop a conductive composite material and an electrochemical enzyme sensor based on it. The conductive composite, consisting of poly(3,4-ethylenedioxy-thiophene-poly(4-lithium styrenesulfonic acid)/chitosan-AuNPs-glutaraldehyde, was created via electrochemical production. The sensor showed high catalytic activity towards the oxidation of polyphenols and could be used for their determination.
Article
Chemistry, Multidisciplinary
B. Brozek-Pluska, K. Beton
Summary: The study demonstrated the protective effect of beta-carotene against oxidative stress injury induced by tBHP in human normal colon cells, alleviating damage and preventing cell apoptosis. Treatment with beta-carotene altered the level of reactive oxygen species (ROS) and its antioxidant role was confirmed using label-free Raman techniques.
Article
Chemistry, Physical
Arkadiusz Jarota, Ewa Pastorczak, Walid Tawfik, Bing Xue, Rafal Kania, Halina Abramczyk, Takayoshi Kobayashi
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
(2019)
Article
Chemistry, Physical
Rajalaxmi Sahoo, C. Reshma, D. S. Shankar Rao, C. V. Yelamaggad, S. Krishna Prasad
Summary: This study investigates the influence of the flexible spacer parity of a guest photoactive liquid crystalline dimer on the photonic bandgap features of the cholesteric and twist grain boundary smectic C phases of the host molecule. The results show that the parity of the photoactive dimer affects the width of the photonic bandgap and the blue-shift of the cholesteric phase. Additionally, the parity of the dimer also affects the layer spacing and two-dimensional periodicity of the liquid crystalline phases.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Sara Rozas, Alberto Gutierrez, Mert Atilhan, Alfredo Bol, Santiago Aparicio
Summary: This study presents a multiscale theoretical investigation on the use of bifunctional hydrophobic Deep Eutectic Solvent for carbon capture using tetrapropylammonium chloride, acetic acid, and ethanolamine. The characterization includes nanoscale analysis of CO2 absorption mechanisms and changes in liquid phase properties during gas capture.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Tabouli Eric Da-yang, Alhadji Malloum, Jean Jules Fifen, Mama Nsangou, Jeanet Conradie
Summary: In this study, the potential energy of different glycine tautomers and their interaction with Cu2+ cations was investigated. The results showed that the solvation medium and the presence of Cu2+ cations influenced the stability of glycine tautomers.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Xiaoliang Gou, Nan Ye, Qingqing Han, Junjie Cui, Long Yi Jin
Summary: In this study, amphiphilic rod-coil molecules with rigid DSA parts and flexible oligoether chains were designed and their assembly capacities were investigated. The morphology of the molecular aggregates was influenced by the pH of the solution and UV light, and the aggregates showed adsorption capacity for nitroaromatic compounds.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Shuang Liu, Liyan Shan, Cong Qi, Wenhui Zhang, Guannan Li, Bei Wang, Wei Wei
Summary: Optimizing the design of styrene-butadiene-styrene copolymer (SBS) is crucial for producing cost-effective SBS modifiers and improving road quality. This study examined the influence of SBS content and molecular structure on viscosity and compatibility. The results showed that the viscosity contribution of SBS is determined by its molecular structure and phase morphology.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Artem A. Petrov, Ekaterina A. Titova, Aydar A. Akhmadiyarov, Ilnaz T. Rakipov, Boris N. Solomonov
Summary: This work focuses on the thermochemistry of solvation of azeotropes. The enthalpies of dissolution of azeotropes in different mediums were determined, and the impact of the structure of the azeotropes on their properties in solution was discussed. A correlation between enthalpies of solvation and molar refraction was used to determine the vaporization enthalpies of azeotropes for the first time. The results were found to be consistent with literature data, obtained using direct and calculated methods. These findings contribute to the analysis of the structure-property relationships of azeotropes.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
L. V. Kamaeva, E. N. Tsiok, N. M. Chtchelkatchev
Summary: Understanding the correlations between liquids and solids allows us to predict the thermodynamic parameter range favorable for the formation of intriguing solid phases by studying liquids. In this study, we experimentally and theoretically investigated an Al-Cu-Co system within different composition ranges, and identified high-temperature solid phases. Our findings demonstrated the correlation between the boundaries of different solid phases and undercooling and viscosity in the concentration area.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
R. Aneesh Kumar, S. Jamelah Al-Otaibi, Y. Sheena Mary, Y. Shyma Mary, Nivedita Acharjee, Renjith Thomas, Renjith Raveendran Pillai, T. L. Leena
Summary: In this study, the interactions between doped and pristine coronenes and adenine nucleobases were investigated using Density Functional Theory. The optimal configurations, adsorption energies, charge transfer, and electrical properties of each complex were calculated. It was found that doped coronene had stronger adsorption strength and charge transfer compared to pristine coronene. The stability of the complexes was attributed to non-covalent interactions in the interactive region. The change in electrical conductivity of coronenes after adsorption suggested their sensitivity towards DNA bases. The predicted energy gap and prolonged recovery time for adenine-coronene configurations indicated the potential application of pristine/doped coronene in DNA detection.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Gang Zhou, Yongwei Liu, Biao Sun, Zengxin Liu, Cuicui Xu, Rulin Liu, Qi Zhang, Yongmei Wang
Summary: The CFD-DEM method was used to simulate the dust deposition pattern in the bronchus of anchor digging drivers, revealing the highest dust concentration in the vortex region of the working face. The study also found a positive correlation between dust particle diameter and bronchial deposition rate, and a negative correlation with alveolar deposition rate.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Yan Zhang, Yafei Luo, Lingkai Tang, Mingyan E, Jianping Hu
Summary: This study investigates the effects of different transition metal decorations on B12N12 nanocages on the adsorption properties of nitrosourea drugs using computational methods. The results reveal the presence of weak non-covalent interactions between metals and nanocages, and the interaction between drugs and nanocages plays a significant role in drug adsorption. Compared to free drugs, the adsorption of drugs on nanocages can facilitate electron transfer, reduce energy gaps and chemical hardness, indicating activity at the target site.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
C. I. Alcolado, J. Poblete, L. Garcia-Rio, E. Jimenez, F. J. Poblete
Summary: In this study, the selective oxidation of aromatic aldehydes was investigated using Ru(VI) as a catalyst and hexacyanoferrate (III) as a cooxidant in an alkaline medium. The reaction mechanism involves complex reaction orders for the oxidant and the aromatic aldehyde, while the reaction order for Ru(VI) is one. The proposed mechanism includes two catalytic cycles and the formation and decomposition of complexes. Quantitative structure-activity relationship analysis showed that deactivating groups in the para-position enhance the process.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Inez A. Barbieri, Marcos L. S. Oliveira, Franciele S. Bruckmann, Theodoro R. Salles, Leonardo Zancanaro, Luis F. O. Silva, Guilherme L. Dotto, Eder C. Lima, Mu. Naushad, Cristiano R. Bohn Rhoden
Summary: This study evaluated the adsorption of zolpidem on magnetic graphene oxide and synthesized magnetic graphene oxide adsorbents for zolpidem removal. The best magnetic nanoadsorbent was found to have a removal percentage of 87.07% at specific pH and temperature conditions. The results suggest that the removal of zolpidem is related to the surface chemistry of the adsorbent rather than the surface area of graphene oxide. The adsorbent showed excellent adsorption efficiency and magnetic behavior, making it a promising material for removing zolpidem from aqueous solutions.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Hongyan Huang, Chunquan Li, Siyuan Huang, Yuling Shang
Summary: This study examines the sensitivity of the thermal conductivity of water-based alumina nanofluids to changes in concentration, sphericity, and temperature. The results show that volume fraction and temperature have a significant impact on the thermal conductivity, while sphericity also needs to be considered. A support vector machine regression model was created to analyze the sensitivity of the thermal conductivity to different parameters. The findings indicate that temperature, sphericity, and volume fraction are the most sensitive variables.
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Correction
Chemistry, Physical
V. M. Pergamenshchik, T. Bryk, A. Trokhymchuk
JOURNAL OF MOLECULAR LIQUIDS
(2024)
Article
Chemistry, Physical
Valentyn Rudenko, Anatolii Tolochko, Svitlana Bugaychuk, Dmytro Zhulai, Gertruda Klimusheva, Galina Yaremchuk, Tatyana Mirnaya, Yuriy Garbovskiy
Summary: This paper reports on the synthesis, structural characterization, spectral and nonlinear-optical properties of glass nanocomposites made of glass forming ionic liquid crystals and nanoparticles. The study reveals that by exciting the nanocomposites within their absorption band, a control over effective optical nonlinearities can be achieved, allowing the modification of the magnitude and sign of the effective nonlinear absorption coefficient. The proposed strategy using metal-alkanoates based glass-forming ionic liquid crystals and nanoparticles shows great potential for the development of nanophotonics and plasmonics technologies.
JOURNAL OF MOLECULAR LIQUIDS
(2024)