jablonkagroup/rise_ai_scientists huggingface dataset:
Authors: Alexandra Peregrina | João Martins-Lourenço | Filomena Freitas | Maria A.M. Reis | Cecília M. Arraiano
Source: Life (review, 2021-08-20)
Field: Materials Science — Biomaterials

Post-Transcriptional Control in the Regulation of Polyhydroxyalkanoates Synthesis The large production of non-degradable petrol-based plastics has become a major global issue due to its environmental pollution. Biopolymers produced by microorganisms such as polyhydroxyalkanoates (PHAs) are gaining potential as a sustainable alternative, but the high cost associated with their industrial production has been a limiting factor. Post-transcriptional regulation is a key step to control gene expression in changing environments and has been reported to play a major role in numerous cellular processes. However, limited reports are available concerning the regulation of PHA accumulation in bacteria, and many essential regulatory factors still need to be identified. Here, we review studies where the synthesis of PHA has been reported to be regulated at the post-transcriptional level, and we analyze the RNA-mediated networks involved. Finally, we discuss the forthcoming research on riboregulation, synthetic, and metabolic engineering which could lead to improved strategies for PHAs synthesis in industrial production, thereby reducing the costs currently associated with this procedure. Polyhydroxyalkanoates ; Synthetic biology ; Metabolic engineering ; Limiting ; Biochemical engineering ; Sustainable production ; Transcriptional regulation ; Production (economics) ; Computational biology ; Biotechnology ; Biology ; Bacteria ; Transcription factor ; Gene ; Biochemistry ; Genetics ; Engineering biodegradable polymer synthesis and properties ; Microplastics and Plastic Pollution ; Biopolymer Synthesis and Applications
Authors: Vladimir Villanueva-López | Leonardo C. Pacheco‐Londoño | Reynaldo Villarreal-González | John R. Castro-Suárez | Andrés D. Román-Ospino | William Ortiz-Rivera | Nataly J. Galán‐Freyle | Samuel P. Hernández‐Rivera
Source: Pharmaceutics (article, 2021-06-29)
Field: Chemistry — Analytical Chemistry

API Content and Blend Uniformity Using Quantum Cascade Laser Spectroscopy Coupled with Multivariate Analysis The process analytical technology (PAT) initiative proposed by the US Food and Drug Administration (FDA) suggests innovative methods to better understand pharmaceutical processes. The development of analytical methods that quantify active pharmaceutical ingredients (APIs) in powders and tablets is fundamental to monitoring and controlling a drug product's quality. Analytical methods based on vibrational spectroscopy do not require sample preparation and can be implemented during in-line manufacturing to maintain quality at each stage of operations. In this study, a mid-infrared (MIR) quantum cascade laser (QCL) spectroscopy-based protocol was performed to quantify ibuprofen in formulations of powder blends and tablets. Fourteen blends were prepared with varying concentrations from 0.0% to 21.0% (<i>w/w</i>) API. MIR laser spectra were collected in the spectral range of 990 to 1600 cm<sup>-1</sup>. Partial least squares (PLS) models were developed to correlate the intensities of vibrational signals with API concentrations in powder blends and tablets. PLS models were evaluated based on the following figures of merit: correlation coefficient (R<sup>2</sup>), root mean square error of calibration, root mean square error of prediction, root mean square error of cross-validation, and relative standard error of prediction. QCL assisted by multivariate analysis was demonstrated to be accurate and robust for analysis of the content and blend uniformity of pharmaceutical compounds. Quantum cascade laser ; Process analytical technology ; Cascade ; Mean squared error ; Spectroscopy ; Partial least squares regression ; Multivariate statistics ; Infrared spectroscopy ; Calibration ; Correlation coefficient ; Materials science ; Root mean square ; Analytical Chemistry (journal) ; Chemistry ; Mathematics ; Statistics ; Chromatography ; Physics ; Organic chemistry Spectroscopy and Chemometric Analyses ; Spectroscopy Techniques in Biomedical and Chemical Research ; Pesticide Residue Analysis and Safety
Authors: Moera Gutu Jiru | Mesay Alemu Tolcha | Dessalegn Ahmed Yeshanew
Source: Journal of Basic & Applied Sciences (article, 2021-08-17)
Field: Materials Science — Materials Chemistry

Investigation of Soil Physicochemical Effects on the Corrosion of Buried Iron Pipes Soil corrosivity was an active problem of water pipeline damaged by corrosion that affects the performance of pipe manufacturers. In Addis ababa, groundwater pipelines were facing breakage and like due to corrosion damage of the pipes. The population of nearly four million were facing a shortage of clean and continuous water supply. Maintenace and replacing old pipes with new ones increased additional cost and delay of water supply for the city. For this investigation of corrosion, causes were conducted which soil property is the one factor. Investigation of soil corrosivity for a given specific location before installation is important to design robust pipes that can serve for long life. Soil physicochemical behaviors of the soil parameters were pH, moisture content, and electrical resistivity for any type of soil. In addition, soil bulk density, total nitrogen, soil texture, and electrical conductivity were also the main factors to be studied. The laboratory result indicated that pH of 6.98-7.04, moisture content of 23.7-37.5%, and electrical conductivity of 0.105-313 ds/m were observed. Total nitrogen was small as 0.06-0.10 for a type of soil were class and loam soils. From the analysis of eight soil samples taken from different cities. The results show that the corrosivity behavior of buried iron pipes in the capital city of Ethiopia was moderately corrosive. As confirmed from various soil samples tested from corroded pipes at different depths of 40, 80, and 120 cm. The influence of soil corrosiveness factors initiates pits formation and propagates its width and depth on the surface of pipes. Corrosion ; Loam ; Water content ; Soil texture ; Soil water ; Environmental science ; Moisture ; Breakage ; Soil science ; Metallurgy ; Materials science ; Geotechnical engineering ; Geology ; Composite material Corrosion Behavior and Inhibition ; Structural Integrity and Reliability Analysis ; Concrete Corrosion and Durability
Authors: Fubao Jin | Yuanxiang Zhou | Bin Liang
Source: IEEE Access (article, 2021-01-01)
Field: Materials Science — Materials Chemistry

Influence of Aging on Creepage Discharge Characteristics of Oil-Paper Insulation Under AC-DC Combined Voltage There is a relative lack of research on the development of creepage discharge in aged oil-paper insulation subjected to AC-DC combined voltage in converter transformers. In this study, based on the physical and chemical properties of oil-paper, we propose a sphere-plate electrode model to study the creepage discharge parameters and characteristic spectra of aged oil-paper subjected to AC-DC combined voltage. The results show that the creepage discharge inception voltage of aged oil-paper is related to the AC voltage component of the AC-DC combined voltage. However, when the DC voltage component is 60 kV, the flashover phenomenon was found to occur in one of the severely aged samples before the AC voltage was applied. Despite being subjected to the same DC voltage, the flashover phenomenon did not occur in three other samples aged to different degrees. Large-amplitude discharges were found to appear earlier in the severely aged samples. At the same creepage discharge stage, as the aging time of the oil-paper increased, the number of large-amplitude discharges was found to rapidly increase, and the time interval between adjacent discharges was found to gradually decrease. At each stage of the creepage discharge, the small-amplitude discharge has a ''hump'' shaped distribution. The larger the DC voltage component, the shorter the endurance time of aged oil-paper, and the more severe the damage to the oil-paper. The DC voltage component was found to have an accelerating effect on the development of creepage discharge in aged oil-paper insulation. Voltage ; Arc flash ; Materials science ; Transformer ; Electrical engineering ; Transformer oil ; Partial discharge ; Amplitude ; Electrode ; Breakdown voltage ; Low voltage ; High voltage ; Composite material ; Environmental science ; Chemistry ; Physics ; Engineering ; Optics High voltage insulation and dielectric phenomena ; Power Transformer Diagnostics and Insulation ; Lightning and Electromagnetic Phenomena
Authors: P. V. Yudin | Konstantin Shapovalov | Tomáš Sluka | Jani Peräntie | Heli Jantunen | A. Dejneka | M. Tyunina
Source: Scientific Reports (article, 2021-01-21)
Field: Materials Science — Materials Chemistry

Mobile and immobile boundaries in ferroelectric films The intrinsic mobile interfaces in ferroelectrics-the domain walls can drive and enhance diverse ferroelectric properties, essential for modern applications. Control over the motion of domain walls is of high practical importance. Here we analyse theoretically and show experimentally epitaxial ferroelectric films, where mobile domain walls coexist and interact with immobile growth-induced interfaces-columnar boundaries. Whereas these boundaries do not disturb the long-range crystal order, they affect the behaviour of domain walls in a peculiar selective manner. The columnar boundaries substantially modify the behaviour of non-ferroelastic domains walls, but have negligible impact on the ferroelastic ones. The results suggest that introduction of immobile boundaries into ferroelectric films is a viable method to modify domain structures and dynamic responses at nano-scale that may serve to functionalization of a broader range of ferroelectric films where columnar boundaries naturally appear as a result of the 3D growth. Ferroelectricity ; Materials science ; Domain (mathematical analysis) ; Condensed matter physics ; Ferroelasticity ; Epitaxy ; Domain wall (magnetism) ; Crystal (programming language) ; Piezoresponse force microscopy ; Nanotechnology ; Computer science ; Optoelectronics ; Physics ; Mathematics Ferroelectric and Piezoelectric Materials ; Acoustic Wave Resonator Technologies ; Multiferroics and related materials
Authors: Asok Ray | A Ray | Allen | Palaparthi | Modell | J Cliff | J Michael | M Mcfarland | Wenderoth | Chuang | S Frentz | Leibler | Piotrowska | Mamontov | A Peterson | Koptyug | Zhang | S Ray | Phoha | P Lin | Antsaklis | E Langer | W Fuller | Carter | Ray | V Rajagopalan | A Mukherjee
Source: International Journal on Engineering Technologies and Informatics (article, 2021-06-18)
Field: Chemistry — Physical and Theoretical Chemistry

Homeostasis and Homeorhesis: Sustaining Order and Normalcy in Human-Engineered Complex Systems This letter explores the notions of biological homeostasis and homeorhesis for construction of hybrid decision &amp; control laws for human-engineered complex systems. The complexity may remain dormant during normal operations, but it becomes acutely conspicuous when contributing to unanticipated cascading and pervasive failures. The objective here is to sustain order and normalcy under both anticipated and unanticipated anomalies, faults, and disturbances. As an example, macroscopic decision &amp; control of material microstructures is presented. Risk analysis (engineering) ; Order (exchange) ; Homeostasis ; Complex system ; Computer science ; Control (management) ; Business ; Engineering ; Biology ; Cell biology ; Artificial intelligence History and advancements in chemistry
Authors: Riccardo Deidda | H. Avohou | Elodie Dumont | Cédric Hubert | Philippe Hubert | Charlotte De Bleye | Eric Ziémons
Source: Journal of Raman Spectroscopy (article, 2021-09-06)
Field: Materials Science — Electronic, Optical and Magnetic Materials

Application of the analytical quality by design principles to the development of a qualitative surface‐enhanced Raman scattering method: A proof of concept Abstract Analytical quality by design (AQbD) is a systematic approach that allows developing analytical methods in a more science‐based way, due to the higher quality of information collected during the development process. However, its application remains limited to the development of separation methods. (i.e., liquid chromatography and capillary electrophoresis). Its application to spectroscopic techniques remains underexplored, despite the potential benefits. The aim of this work was to demonstrate the application of the AQbD principles to surface‐enhanced Raman scattering (SERS) method development, detailing each step characterizing this approach. First, crystal violet (CV) was chosen as a model compound and the analytical target profile was defined. Risk assessment was performed to individuate the critical method parameters. The intensity of the CV band at 1175 cm −1 was selected as critical method attribute to be modeled and maximized. A screening study was conducted to study 11 aggregation agents (AAs) at different concentration levels (range 0.010–1 M) and in two solvent media (aqueous and methanolic). The two AAs exhibiting the strongest signal, one for each medium, were retained. Once these parameters were fixed, an I‐optimal design was applied to optimize the entire analysis process. Here, the volumes of nanoparticle suspension and AA solution added to the SERS samples were simultaneously varied. Two method operable design regions, one for each medium, were computed using a Bayesian design space approach. The latter enabled evaluating the failure risk associated to each experimental condition explored and choosing those that best fit the analytical purpose in the experimental domain. Raman scattering ; Raman spectroscopy ; Development (topology) ; Computer science ; Quality (philosophy) ; Quality by Design ; Process (computing) ; Chemistry ; Materials science ; Biological system ; Analytical Chemistry (journal) ; Nanotechnology ; Chromatography ; Mathematics ; Optics ; Particle size ; Physics Gold and Silver Nanoparticles Synthesis and Applications ; Spectroscopy and Chemometric Analyses ; Spectroscopy Techniques in Biomedical and Chemical Research
Authors: Luo Fang | Yujia Liu | Yiwen Zhang | Zongfu Pan | Like Zhong | Liehao Jiang | Jiafeng Wang | Xiaowei Zheng | Ling-Ya Chen | Ping Huang | Minghua Ge | Zhuo Tan
Source: Journal of Cancer (article, 2021-01-01)
Field: Chemistry — Spectroscopy

Comparison of Proteomics Profiles Between Xenografts Derived from Cell Lines and Primary Tumors of Thyroid Carcinoma Patient-consistent xenograft model is a challenge for all cancers but particularly for thyroid cancer, which shows some of the greatest genetic divergence between human tumors and cell lines. In this study, proteomic profiles of tumor tissues from patients, included anaplastic thyroid carcinoma (ATC) and papillary thyroid carcinoma, and xenografts (8305C, 8505C, FRO, BAPAP and IHH4) were obtained using HPLC-tandem mass spectrometry and compared based on all proteins detected (3,961), cancer-related proteins and druggable proteins using pairwise Pearson's correlation analysis. The human tissue showed low proteomic similarity to the ATC cell lines (8305C, r = 0.344-0.416; 8505C, 0.47-0.579; FRO, 0.267-0.307) and to PTC cell lines (BCPAP, 0.303-0.468; IHH4, 0.262-0.509). Human tissue showed the following similarity to cell lines at the level of 135 cancer-related pathways. The ATC cell lines contained 47.4% of the cancer-related pathways (19.26%-33.33%), while the PTC cell lines contained 40% (BCPAP, 25.93%; IHH4, 28.89%). In patient tumor tissues, 44-60 of 76 and 52-53 of 93 druggable proteins were identified in ATC and PTC tumors, respectively. Ten and 29 druggable proteins were not identified in any of the ATC and PTC xenografts, respectively. We provide a reference for CDX selecting in <i>in vivo</i> studies of thyroid cancer. Thyroid tumors ; Thyroid carcinoma ; Primary (astronomy) ; Cancer research ; Proteomics ; Pathology ; Thyroid ; Medicine ; Oncology ; Biology ; Internal medicine ; Biochemistry ; Physics ; Gene Advanced Proteomics Techniques and Applications ; Thyroid Cancer Diagnosis and Treatment ; Cancer-related Molecular Pathways
Authors: Wei Guo | Yifeng Yang | Hengqian Zhao | Rui Song | Ping Dong | Qian Jin | Muhammad Hasan Ali Baig | Zelong Liu | Zihan Yang
Source: Applied Sciences (article, 2021-10-04)
Field: Chemistry — Analytical Chemistry

Winter Wheat Take-All Disease Index Estimation Model Based on Hyperspectral Data Wheat take-all, caused by two variants of the fungus Gaeumannomyces gramnis (Sacc.) Arx &amp; D. Olivier, was common in spring wheat areas in northwest and north China and occurred in winter wheat areas in north China. The yield of common disease areas was reduced by more than 20% and the yield of severe cases was reduced by more than 50%. Large-scale rapid and accurate estimation of the incidence of wheat take-all plays an important role in guiding field control and agricultural yield estimation. In this study, a portable ground spectrometer was used to collect the spectral reflectance in the 350–1050 nm band range of wheat canopy after take-all infection in the wheat grain filling stage and combined with the ground disease survey data.Then a winter wheat take-all disease index estimation model was proposed based on the spectral band division interval and selected band combination. According to the normalized difference spectral index (NDSI) and the determinative coefficient of the disease index formed by any two band combinations, the spectral index band combinations corresponding to the spectral index with high correlation in each region were screened by dividing spectral intervals. Partial least-squares regression was used to establish a binary and ternary disease index calibration model. The results showed that the model based on spectral indices of ternary variables had the highest coefficient of determination. Finally, the optimal regression model of wheat take-all disease condition index composed of NDSI(R590,R598), NDSI(R534,R742) and NDSI(R810,R834) was established: Y = 134.577 − 70.301 NDSI(R590,R598) − 223.533 NDSI(R534,R742) + 51.584 NDSI(R810,R834) (R2 = 0.743, RMSEP = 0.094, df = 15), which was the most suitable model for winter wheat take-all estimation. The construction of this model can provide new method and technical support for future evaluation and monitoring of wheat take-all disease on the field. Mathematics ; Canopy ; Index (typography) ; Regression analysis ; Statistics ; Agronomy ; Remote sensing ; Geography ; Biology ; Botany ; Computer science Spectroscopy and Chemometric Analyses ; Remote Sensing in Agriculture ; Mycotoxins in Agriculture and Food
Authors: Chin-Wei Cheng | Kuan-Min Lo | Min-Feng Li | Tai‐Chia Chiu | Cho-Chun Hu
Source: RSC Advances (article, 2021-01-01)
Field: Materials Science — Materials Chemistry

Facile synthesis of dual-emission fluorescent carbon nanodots for a multifunctional probe In this study, we developed a facile method for synthesizing dual-emission carbon nanodots (CDs) through trimesic acid and <i>o</i>-phenylenediamine through electrolysis for 2 h. The synthesized CDs were mainly 3-7 nm in size, with an average size of 5.17 nm. The dual-emission fluorescent property of these CDs could be observed under two different excitation wavelengths. The green emission of the CDs could be quenched after the addition of mercury ions or copper ions, and the blue emission of the CDs could be inhibited using hydroxychloroquine (HCQ). Furthermore, the quenched fluorescence of CDs/Cu<sup>2+</sup> could be recovered through the addition of glyphosate. We developed a multifunctional chemical sensor by using these special fluorescence materials. Under optimal conditions, the detection limits of mercury ions, glyphosate, and HCQ were 0.42 μM, 1.1 mg L<sup>-1</sup>, and 0.14 μM, respectively. Moreover, this method can be used to detect mercury ions, glyphosate, and HCQ in environmental water, cereals, and urine samples, respectively. Fluorescence ; Nanodot ; Dual (grammatical number) ; Nanotechnology ; Carbon fibers ; Materials science ; Chemistry ; Optics ; Physics Carbon and Quantum Dots Applications ; Nanocluster Synthesis and Applications ; Luminescence and Fluorescent Materials
Authors: Vanderson M. Dornelas | Sérgio Almeida de Oliveira | Marcelo A. Savi | Pedro Manuel Calas Lopes Pacheco
Source: Metals (article, 2021-09-29)
Field: Materials Science — Materials Chemistry

Numerical Investigations of Shape Memory Alloy Fatigue This work deals with numerical investigations of the functional and structural fatigue on shape memory alloys (SMAs). A thermodynamically consistent, three-dimensional constitutive model is employed, adopting a continuum damage perspective. Fatigue life is predicted by considering a macroscopic model. Numerical simulations are compared with experimental data taken from the literature to demonstrate the model’s ability to capture the general thermomechanical behavior of SMAs subjected to different loading conditions. Uniaxial and torsion tests are discussed; thermal loads are also analyzed considering the influence of the maximum temperature on the fatigue life of SMAs. Cyclic degradation of the shape memory effect is investigated in the sequence. Results show that numerical simulations are in good agreement with the experimental data, including the fatigue life estimation. Shape-memory alloy ; Materials science ; Constitutive equation ; Experimental data ; Structural engineering ; Torsion (gastropod) ; Numerical analysis ; Computer simulation ; Mechanics ; Work (physics) ; Composite material ; Finite element method ; Thermodynamics ; Mathematics ; Engineering ; Mathematical analysis ; Physics Shape Memory Alloy Transformations ; Titanium Alloys Microstructure and Properties
Authors: Edgar Molle | Hatice Mutlu | Patrick Théato
Source: Macromolecular Rapid Communications (article, 2021-05-01)
Field: Chemistry — Organic Chemistry

Synthesis and Post‐Polymerization Modification of Poly(<i>N</i>‐(4‐Vinylphenyl)Sulfonamide)s Herein, a straightforward synthesis of a novel class of polymers, that is, poly(N-(4-vinylphenyl)sulfonamide)s, and their monomers is reported. A set of monomers with varying electron densities, fine-tuned by different substituents on the aromatic sulfonamide moiety, is polymerized by free radical polymerization featuring low molar masses (2300 ≤ M<sub>n</sub> ≤ 3200 g mol<sup>-1</sup> ) and low dispersities (1.15 ≤ Đ ≤ 1.47). Further, the post-polymerization modification of the obtained polymers via aza-Michael addition with electron-deficient alkenes is demonstrated using organic superbases as catalysts, paving the way toward the facile synthesis of novel polymeric protected β-amino acid derivatives. Monomer ; Sulfonamide ; Moiety ; Polymerization ; Polymer chemistry ; Polymer ; Chemistry ; Materials science ; Organic chemistry Synthetic Organic Chemistry Methods ; Sulfur-Based Synthesis Techniques ; Catalytic Cross-Coupling Reactions
Authors: Raoudha Soury | Mahjoub Jabli | Khalaf M. Alenezi | Marwa Chaabéne | Ashanul Haque | Hani El Moll | Régis Rein | E. M. S. Azzam | Nathalie Solladié
Source: Inorganic Chemistry Communications (article, 2021-06-01)
Field: Materials Science — Materials Chemistry

A novel meso-tetrakis(2,4,6-trimethylphenyl) porphyrinato ([Zn(TMP)(4,4′-bpy)]) complex: Synthesis, characterization, and application Chemistry ; Zinc ; Aqueous solution ; Ligand (biochemistry) ; Proton NMR ; Degradation (telecommunications) ; Electrochemistry ; Catalysis ; Molecule ; Bipyridine ; Crystal structure ; Stereochemistry ; Crystallography ; Photochemistry ; Inorganic chemistry ; Organic chemistry ; Physical chemistry ; Electrode ; Receptor Porphyrin and Phthalocyanine Chemistry ; Porphyrin Metabolism and Disorders ; Metal complexes synthesis and properties