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American Journal of Hematology Sep 2023
Topics: Humans; Hematologic Neoplasms; Pyridines; Diamines
PubMed: 37354069
DOI: 10.1002/ajh.27005 -
Spectrochimica Acta. Part A, Molecular... Nov 2023The present study focuses on structural and chemical analyses of N-phenylmorpholine-4-carboxamide benzene-1,2-diamine (PMCBD) using quantum computational methods. The...
The present study focuses on structural and chemical analyses of N-phenylmorpholine-4-carboxamide benzene-1,2-diamine (PMCBD) using quantum computational methods. The calculated bond angle, length, and dihedral angle between atoms were compared with measured values. The observed and stimulated FT-IR (Fourier Transform Infrared Spectroscopy) spectra parameters for vibrational wavenumbers and their associated PED (Potential Energy Distribution) values in percentage have been obtained from VEDA4 software. The electronic transitions of PMCBD were discussed by TD-SCF/DFT/B3LYP based on the 6-311++G(d,p) basis set with solvents such as chloroform, ethanol, and dimethyl sulfoxide (DMSO) and gas. Density functional computations were used to study the band energy between HOMO and LUMO using the B3LYP/6-311++G(d,p) level. Mulliken analysis and natural population analysis were used for a better understanding of charge levels on different atoms such as N, H and O. The natural bonding orbital (NBO) analysis proved helpful in studying molecular and bond strengths. (NBO). The ESP acquired data on the molecule's size, shape, charge density distribution, and chemical reactivity site. This was done by mapping electron density on the surface with electrostatic potential. Non-linear optical detection of PMCBD was also discussed. Aside from the electron localization function map, state densities are also mapped using Multiwfn software, a wave function analyzer.
Topics: Models, Molecular; Molecular Conformation; Spectroscopy, Fourier Transform Infrared; Benzene; Spectrum Analysis, Raman; Diamines; Static Electricity; Quantum Theory; Thermodynamics; Vibration; Spectrophotometry, Ultraviolet
PubMed: 37321138
DOI: 10.1016/j.saa.2023.122988 -
Journal of Inorganic Biochemistry Mar 2021The insulin enhancing activity, histological analysis and, testicular degeneration by a VO-complex containing the 2,2'-(ethane-1,2-diylbis(azanediyl))diethanolate...
The insulin enhancing activity, histological analysis and, testicular degeneration by a VO-complex containing the 2,2'-(ethane-1,2-diylbis(azanediyl))diethanolate ligand, VO(CHNO-κN,κO), abbreviated VO(BHED), were investigated in diabetic male Wistar rats. The complex was administered by oral gavage of freshly prepared solutions of vanadium complex. Biological studies demonstrated that the vanadium complex normalized the elevated glucose levels in male Wistar rats with streptozotocin-induced diabetes and these compounds also avoided common responses in diabetic animals such as weight loss and reduction in the size of the epididymis, prostate, testis and seminal gland. The V NMR and EPR studies showed the formation of VO(BHED) and the oxidation product [VOBHED] with two possible decomposition pathways. In summary, these studies demonstrate that the VO(BHED) complex or its decomposition products show similar effects as insulin in decreasing elevated blood glucose levels.
Topics: Animals; Atrophy; Coordination Complexes; Diabetes Mellitus, Experimental; Diamines; Hypoglycemic Agents; Male; Rats; Rats, Wistar; Testicular Diseases; Testis; Vanadium
PubMed: 33388704
DOI: 10.1016/j.jinorgbio.2020.111312 -
Current Pharmaceutical Design 2024Digital PCR (dPCR) is the latest technique that has become commercially accessible for various types of research. This method uses Taq polymerase in a standard... (Review)
Review
Digital PCR (dPCR) is the latest technique that has become commercially accessible for various types of research. This method uses Taq polymerase in a standard polymerase chain reaction (PCR) to amplify a target DNA fragment from a complex sample, like quantitative PCR (qPCR) and droplet digital PCR (dd- PCR). ddPCR may facilitate microRNA (miRNA) measurement, particularly in liquid biopsy, because it has been proven to be more effective and sensitive, and in this method, ddPCR can provide an unprecedented chance for deoxyribonucleic acid (DNA) methylation research because of its capability to increase sensitivity and precision over conventional PCR-based methods. qPCR has also been found to be a valuable standard technique to measure both copy DNA (cDNA) and genomic DNA (gDNA) levels, although the finding data can be significantly variable and non-reproducible without relevant validation and verification of both primers and samples. The SYBR green quantitative real-time PCR (qPCR) method has been reported as an appropriate technique for quantitative detection and species discrimination, and has been applied profitably in different experiments to determine, quantify, and discriminate species. Although both TaqMan qRT-PCR and SYBR green qRT-PCR are sensitive and rapid, the SYBR green qRT-PCR assay is easy and the TaqMan qRT-PCR assay is specific but expensive due to the probe required. This review aimed to introduce dPCR, qPCR, SYBR green PCR kit, and digital PCR, compare them, and also introduce their advantages in the detection of different diseases.
Topics: Humans; Real-Time Polymerase Chain Reaction; Benzothiazoles; Diamines; DNA; Quinolines
PubMed: 38243947
DOI: 10.2174/0113816128276560231218090436 -
Toxicology and Industrial Health Jun 2023Performing risk assessments (RA) on household use of flexible polyurethane (PU) foams requires access to reliable data about emission and migration of potential diamine...
Performing risk assessments (RA) on household use of flexible polyurethane (PU) foams requires access to reliable data about emission and migration of potential diamine impurities. A toluene diisocyanate (TDI) and a methylene diphenyl diisocyanate (MDI) based foam were thermally treated to enable measurements on samples with defined concentrations of the corresponding diamines, toluene diamine (TDA), and methylene dianiline (MDA). The thermally treated foams used for emission testing contained up to 15 mg.kg of TDA and 27 mg.kg of MDA. Those used for migration testing contained 5.1 mg.kg of TDA and 14.1 mg.kg of MDA. Stability of the thermally generated diamines was sufficient for testing over a 37-day period. Analytical techniques that did not decompose the polymer matrix were applied. Emission rates for TDA and MDA isomers were less than the limit of quantitation (LOQ) of 0.008-0.07 μg.m.h. Migration was studied using samples of the same thermally treated foams over a 35-day period. Quantifiable migration of MDA from the MDI-based foam was only observed on Days 1 and 2. From Day 3 onward, migration rates were less than the LOQ. Quantifiable migration of TDA from the TDI-based foam rapidly decreased with time and was only observed on Days 1 thru 3. From Day 4 onward, migration rates were less than the LOQ. Theoretically, the migration rate should be inversely proportional to the square root of time (t) as t. This relationship was confirmed by the experimental data and enables extrapolating migration values to more extended time periods to conduct RAs.
Topics: Polyurethanes; Diamines; Toluene 2,4-Diisocyanate; Amines; Occupational Exposure
PubMed: 37145999
DOI: 10.1177/07482337231172816 -
Journal of the American Society For... Apr 2020Gas phase modification in ESI-MS can significantly alter the charge state distribution of small peptides and proteins. The preceding paper presented a systematic...
Gas phase modification in ESI-MS can significantly alter the charge state distribution of small peptides and proteins. The preceding paper presented a systematic experimental study on this topic using Substance P and proposed a charge retention/charge depletion mechanism, explaining different gas- and liquid-phase modifications [Thinius et al. 2020, 10.1021/jasms.9b00044]. In this work, we aim to support this rational by theoretical investigations on the proton transfer processes from (multiply) charged analytes toward solvent clusters. As model systems we use small (di)amines as analytes and methanol (MeOH) and acetonitrile (ACN) as gas phase modifiers. The calculations are supported by a set of experiments using (di)amines, to bridge the gap between the present model system and Substance P used in the preceding study. Upon calculation of the thermochemical stability as well as the proton transfer pathways, we find that both ACN and MeOH form stable adduct clusters at the protonation site. MeOH can form large clusters through a chain of H-bridges, eventually lowering the barriers for proton transfer to an extent that charge transfer from the analyte to the MeOH cluster becomes feasible. ACN, however, cannot form H-bridged structures due to its aprotic nature. Hence, the charge is retained at the original protonation site, i.e., the analyte. The investigation confirms the proposed charge retention/charge depletion model. Thus, adding aprotic solvent vapors to the gas phase of an ESI source more likely yields higher charge states than using protic compounds.
Topics: Acetonitriles; Diamines; Gases; Lysine; Methanol; Models, Chemical; Protons; Spectrometry, Mass, Electrospray Ionization
PubMed: 32150409
DOI: 10.1021/jasms.9b00045 -
Medycyna Pracy Jun 2017Toluenediamines are harmful substances. Toluene-2,4-diamine has been assigned to Carcinogen 1B hazard class, pursuant to Regulation (European Community - EC) No....
BACKGROUND
Toluenediamines are harmful substances. Toluene-2,4-diamine has been assigned to Carcinogen 1B hazard class, pursuant to Regulation (European Community - EC) No. 1272/2008 of the European Parliament and of the Council, and toluene- 2,6-diamine to Mutagen 2 hazard class. The main routes of exposure to toluene-2,4-diamine and toluene-2,6-diamine are via the respiratory tract and the skin. Toluene-2,4-diamine and toluene-2,6-diamine occur in the work environment in Poland. The aim of this study was to develop and validate a method for the determination of toluene-2,4-diamine and toluene-2,6-diamine that allows the simultaneous determination of their concentrations in the workplace air by personal sampling.
MATERIAL AND METHODS
Determination of toluene-2,4-diamine and toluene-2,6-diamine derivatives in acetonitrile were carried out by means of liquid chromatography with a diode assay detector. The method involves passing amine-containing air through sulfuric acidtreated glass fiber filter, washing out the substance settled on the filter, using water and solution of sodium hydroxide, followed by the extraction with toluene, reaction with 3,5-dinitobenzoyl chloride, replacement of dissolvent with acetonitrile and analysis of obtained solution.
RESULTS
The method developed in this study enables the researcher to determine the content of toluene-2,4-diamine and toluene-2,6-diamine in the presence of other hazardous substances. In the specified measuring range (2.88-57.6 μg/ml) calibration curves are linear. Under the optimized conditions of determination, the limit of detection (LOD) values achieved: 51.36 ng/ml for toluene-2,4-diamine and 52.93 ng/ml for toluene-2,6-diamine.
CONCLUSIONS
This method makes it possible to determine the concentration of toluene-2,4-diamine and toluene-2,6-diamine in the workplace air within the specified measuring range of 0.004-0.08 mg/m (for air sample volume of 720 l). Med Pr 2017;68(4):497-505.
Topics: Air Pollutants, Occupational; Chromatography, Liquid; Limit of Detection; Phenylenediamines
PubMed: 28584339
DOI: 10.13075/mp.5893.00552 -
Journal of Natural Products Jun 2022Four new indole--mannopyranoside alkaloids, neopetrosins A-D (-), together with one new diamine alkaloid, haliclorensin D (), were isolated from the marine sponge... (Review)
Review
Four new indole--mannopyranoside alkaloids, neopetrosins A-D (-), together with one new diamine alkaloid, haliclorensin D (), were isolated from the marine sponge collected off Xisha Island in the South China Sea. Their structures and absolute configurations were determined by spectroscopic analysis, single-crystal X-ray diffraction, calculated electronic circular dichroism (ECD), and DP4+ probability analyses. Compounds , , and exhibited in vivo hepatoprotective activity in a zebrafish model at a concentration of 20 μM.
Topics: Alkaloids; Animals; Antineoplastic Agents; China; Diamines; Indoles; Mannose; Molecular Structure; Porifera; Zebrafish
PubMed: 35650516
DOI: 10.1021/acs.jnatprod.2c00292 -
ACS Synthetic Biology Nov 2021Diamines serve as major platform chemicals that can be employed to a variety of industrial scenarios, particularly as monomers for polymer synthesis. High-throughput...
Diamines serve as major platform chemicals that can be employed to a variety of industrial scenarios, particularly as monomers for polymer synthesis. High-throughput sensors for diamine biosynthesis can greatly improve the biological production of diamines. Here, we identified and characterized a transcription factor-driven biosensor for putrescine and cadaverine in . The transcriptional TetR-family regulatory protein CgmR (CGL2612) is used for the specific detection of diamine compounds. This study also improved the dynamic range and the sensitivity to putrescine by systematically optimizing genetic components of pSenPut. By a single cell-based screening strategy for a library of CgmR with random mutations, this study obtained the most sensitive variant CgmR, which possessed an experimentally determined limit of detection (LoD) of ≤0.2 mM, a K of 11.4 mM, and a utility of 720. Using this highly sensitive putrescine biosensor pSenPut, we demonstrated that CgmRI can be used as a sensor to detect putrescine produced biologically in a system. This high sensitivity and the range of CgmR will be an influential tool for rewiring metabolic circuits and facilitating the directed evolution of recombinant strains toward the biological synthesis of diamine compounds.
Topics: Biosensing Techniques; Corynebacterium glutamicum; Diamines; Metabolic Engineering; Mutation; Transcription Factors
PubMed: 34662101
DOI: 10.1021/acssynbio.1c00363 -
Annals of Work Exposures and Health Apr 2017Biological monitoring to assess exposure to diisocyanates in the workplace is becoming increasingly widespread due to its relative ease of use and ability to look at all...
Biological monitoring to assess exposure to diisocyanates in the workplace is becoming increasingly widespread due to its relative ease of use and ability to look at all exposure routes. Currently, biological monitoring measures the corresponding isocyanate-derived diamine in urine, after hydrolysis. Because of this, any exposure to the diamines themselves released during the industrial process could confound the assessment of diisocyanate exposure. This paper reports an initial assessment of the extent of diamine formation and exposure during different processes involving diisocyanates including casting, grouting, core making, spray painting, foam blowing, and floor screeding. Air monitoring and glove analysis were conducted for both the relevant diisocyanate (measured as total NCO) and its corresponding diamine; urine samples were analysed (after hydrolysis) for the isocyanate-derived diamine. Processes that generated aerosols (as demonstrated by impinger analysis) such as spray painting and foam blowing were associated with the detection of diamines. Those processes that did not generate aerosols (casting, grouting, core making, and screeding) had no diamines detected, either in air or on gloves. In spray-painting tasks, diamines were a minor component (<15%) of the ambient concentration whereas in the foam blowing processes, where water is added to the process, diamine generation is more marked (up to eight times the airborne NCO concentration). Some non-aerosol processes gave rise to substantial diamine levels in urine (in exceedance of international guidance values, >5 µmol mol-1 creatinine) despite airborne levels being well within occupational exposure limits (20 µg m-3 total NCO in Great Britain); measurement data and statistical modelling indicated that skin absorption was the most likely exposure route. Foam blowing exposures were more complex, but urinary levels were greater than those expected from diisocyanate inhalation alone (measured as total NCO). This study provides evidence that biological monitoring for diisocyanates based on measuring the corresponding diamine in urine is valid, although any co-exposure to diamines themselves should be considered when interpreting results. It also demonstrates the potential for substantial skin absorption of diisocyanates in certain processes such as floor screeding and foam production.
Topics: Aerosols; Air Pollutants, Occupational; Diamines; Environmental Monitoring; Humans; Industry; Inhalation Exposure; Isocyanates; Occupational Exposure; United Kingdom; Workplace
PubMed: 28355438
DOI: 10.1093/annweh/wxx006