Science topics: Chemistry
Science topic

Chemistry - Science topic

Chemistry is the science of matter, especially its chemical reactions, but also its composition, structure and properties. Chemistry is concerned with atoms and their interactions with other atoms, and particularly with the properties of chemical bonds.
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According to a study by ​​Ho et al. (2021b), there is a good correlation between the hemolysis, icterus, and lipemic (HIL) index values and the corresponding concentrations of hemoglobin, bilirubin, and intralipid in the concentration of interferences tested. Moreover, using the alinity c system by abbott company, it was stated that 12 of 35 chemistry assays were affected by hemolysis while bilirubin interfered with 4 assays and intralipid interfered with 3 assays.
Will there be any difference on the effects of HIL interferences using different spectrophotometric chemistry analyzers by different brands?
Reference Article:
Ho, C. K. M., Chen, C., Setoh, J. W., Yap, W. W., & Hawkins, R. E. (2021b). Optimization of hemolysis, icterus and lipemia interference thresholds for 35 clinical chemistry assays. Practical Laboratory Medicine, 25, e00232. https://doi.org/10.1016/j.plabm.2021.e00232
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HIL interference was widespread among the 35 Abbott Alinity clinical chemistry assays that were examined in this investigation. An accessible way to determine the existence of hemolysis, icterus, and lipemia that could potentially alter the data produced by the 35 clinical chemistry assays is the automated HIL procedure using the Alinity c system. According to analytical and clinical relevance, clinical laboratories should set acceptance criteria for the HIL interference limits. Using the criteria used in this investigation, it was demonstrated that hemolysis interfered with 12 of the 35 assays that were examined. It is widely known that the release of intracellular components, such as hemoglobin from erythrocytes associated with hemolysis, can result in an increase in the plasma and serum concentrations of several analytes that are present in high concentrations within cells, such as AST, LDH, and potassium. The measurement of serum electrolytes, such as sodium, potassium, and chloride, by indirect ion selective electrode methods in this study was not significantly impacted by lipemia brought on by intralipid spiking; the mean apparent concentrations of sodium, potassium, and chloride in all test serum pools differed by less than 1% from those in the corresponding control serum pools.
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Hello all dear
please help me
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  1. Ethylcyclopentane (C8H16): Ethylcyclopentane is a saturated hydrocarbon with a five-membered cyclopentane ring and an ethyl group (-C2H5) attached to one of the carbon atoms. It is a colorless, flammable liquid with a sweet odor. Ethylcyclopentane is commonly used as a solvent in various industrial processes due to its low toxicity and good solvency properties.
  2. 2-Methylheptane (C8H18): 2-Methylheptane is another saturated hydrocarbon, also known as isoheptane. It has a seven-carbon chain with a methyl group (-CH3) attached to the second carbon atom. 2-Methylheptane is a clear, colorless liquid with a mild odor. It is often used as a solvent and can be a component in gasoline.
In your application, these two solvents are likely blended in specific ratios to create a mixture that can effectively dissolve and separate polymer pigments from recycled plastics and LDP (Low-Density Polyethylene). The choice of solvents may depend on their solvency properties, boiling points, and compatibility with the materials you are working with.
The process you described involves introducing this solvent mixture into a reactor at an elevated temperature (110°C). Due to the high temperature, some of the solvent evaporates, which can lead to a decrease in the reactor's temperature (to 98°C). This change in temperature is likely due to the endothermic nature of the solvent evaporation process, where heat is absorbed during vaporization.
The amount of condensate collected at different times provides valuable data for monitoring and controlling the process. It allows you to quantify the amount of solvent lost through evaporation and potentially recycle or replenish it as needed to maintain the desired solvent concentration in the reactor.
Overall, the formulation of your evaporated solvent involves blending Ethylcyclopentane and 2-Methylheptane to create a solvent mixture suitable for your polymer pigment separation and dissolution application. The process is carefully controlled to optimize solvent usage and separation efficiency.
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I was examining a fluorite sample using EDAX and it didn't detect any uranium but when using XPS we detected U on the surface of the fluorite. Could this be interpreted as uranium salts being adsorbed say from hydrothermal solutions?
Note using XRF we detected U (1.4 ppm)
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One of the 20 fundamental vibrations of benzene occurs at 1309.8 cm^-1, corresponding to the B_2u symmetry. According to the rule of mutual exclusion, this vibration is forbidden in Raman and ATR spectroscopy. However, in a complex with benzene, we observe strong IR activity at 1309.8 cm^-1 in ATR. Why is this?
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This isn't my field but I was curious and found this paper that, in part, says:
"Although Mair and Hornig’s ν14 frequency assignment of 1310 cm−1 has been widely accepted, it has become a great puzzling problem for the theoretical researchers because no advanced quantum chemistry method has realized its rigorous calculation so far (see Supplementary Table 1)."
Wang, S. Intrinsic molecular vibration and rigorous vibrational assignment of benzene by first-principles molecular dynamics. Sci Rep 10, 17875 (2020). https://doi.org/10.1038/s41598-020-74872-6
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Hello!
I was wondering if I would need to break the disulfide in my compound and then protect the thiols before performing michael addition reaction on primary and seconadry amines?
Planning on doing the reaction at 90-95C for 3 days, no solvent
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Hi Dr., I like your question, and I would love to answer and support you on your research, but I would appreciate it if you could click RECOMMEND for my 6 research papers under my AUTHORSHIP below is my short answer to your question. Click the RECOMMEND word under each of my research papers and follow me. In return for your kind support, I provide you with the answer to your question :
Reductive cleavage of the chromophore under mild conditions would seem the most prudent preliminary synthetic step. The electrophilic reactivity of unprotected thiol moieties at elevated temperature risks engendering non-specific reactions and diminished atom economy.
Phosphorus-based reductants such as (VA-044) furnish the requisite reducing potential under ambient conditions, thus circumventing such issues. Subsequent protection of the resultant thiol moieties, via transient acetal or α-methoxymethyl ethers for example, would insulate their nucleophilic character during downstream processing.
While the elevated temperatures proposed for your aminolysis are conducive to facilitating nucleophile-electrophile conjugate addition, prolonged duration risks isomerization or decomposition pathways. A systematic kinetic study, evaluating conversion as a function of time, would help optimize the reaction parameters to maximize atom transfer with minimal unproductive side reactions.
Cleavage of the resultant thiol protecting groups under bench-stable chemical or enzyme-based reductive protocols would furnish the desired product(s) in their exposed, functional thiol form.
In closing, the strategy outlined adheres to best practices in disulfide activation, functional group manipulation and reaction optimization methodologies.
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As you can see in the picture, the reaction may involve Phenol to produce benzoxazole based product.
What can we do to react Amine with Aldehyde to produce related Imine without involving Phenol in the reaction? Any particular catalyst, synthesis method, solvent etc.?
If you know any related research paper, please feel free to mention it in your comment.
Thanks a LOT
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Carbonyl and amino group can easily generate Schiff base (imine), the reaction is a dehydration reaction, the carboxyl and hydroxyl groups in the reactants have no effect on the reaction, please note:
  1. The most commonly used solvents are ethanol or methanol
  2. Advantageous reactions need to be heated or added to activate the carbonyl group by adding Lewis acid
  3. 3. Reactants and solvents try to select the dehydrate
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I am currently seeking guidance and insights on the process of composing a comprehensive review article focused on the topic of "Photocatalysis of Cobalt Oxide Nanoparticles." While I have a keen interest in the subject matter, I am uncertain about the proper structure, content organization, and key points that should be covered in a review article.
Specifically, I am seeking advice on the following points:
  1. Structuring the review article: How should I organize the content to ensure a coherent flow of information?
  2. Key elements to include: What are the essential components that must be addressed within the review to provide a comprehensive understanding of the subject?
  3. Literature synthesis: How do I effectively synthesize existing research and findings on the photocatalytic applications of cobalt oxide nanoparticles?
  4. Analyzing research gaps: What strategies can I employ to identify and analyze gaps in the current understanding or areas that require further research?
  5. Citing and referencing: What is the best approach to citing and referencing relevant sources in a review article of this nature?
Furthermore, I am open to suggestions for an appropriate title for the review article. Your expertise and insights would be greatly appreciated in helping me embark on this endeavor effectively and professionally.
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Crafting a comprehensive review on photocatalysis using cobalt oxide nanoparticles requires careful planning and organization. Below, I have outlined a step-by-step guide to help you in this task:
Introduction: Start your review with an introduction that provides background information on photocatalysis and its importance in sustainable energy and environmental applications. Explain the concept of photocatalysis and its potential to address various challenges like water purification, air pollution control, and solar energy conversion. Also, introduce cobalt oxide nanoparticles as one of the promising photocatalytic materials and highlight their unique properties and advantages.
Synthesis Methods: Discuss various synthesis methods for cobalt oxide nanoparticles, including chemical precipitation, thermal decomposition, hydrothermal synthesis, sol-gel method, and others. Describe the principles, advantages, limitations, and key parameters of each method. Include recent advancements in synthesis techniques, such as microwave-assisted synthesis or environmentally friendly methods.
Characterization Techniques: Explain the characterization techniques used to analyze cobalt oxide nanoparticles and assess their photocatalytic properties. Common techniques include X-ray diffraction (XRD), scanning electron microscopy (SEM), transmission electron microscopy (TEM), energy-dispersive X-ray spectroscopy (EDS), UV-Visible spectroscopy, and Fourier transform infrared spectroscopy (FTIR). Detail the information each technique provides and how it helps in understanding the crystal structure, morphology, composition, and optical properties of cobalt oxide nanoparticles.
Photocatalytic Mechanisms: Elaborate on the photocatalytic mechanisms involved in cobalt oxide nanoparticles. Discuss the band structure, electronic transitions, and charge carrier dynamics responsible for the photocatalytic activity of cobalt oxide. Explain the generation, migration, and transfer of charge carriers, as well as the interaction between cobalt oxide nanoparticles and target pollutants or substrates during photocatalytic reactions.
Photocatalytic Applications: Explore the diverse applications of cobalt oxide nanoparticles in photocatalysis. Highlight their performance in degradation of organic pollutants, water splitting for hydrogen production, CO2 reduction, and other relevant areas. Present recent studies, key findings, and limitations of cobalt oxide nanoparticles in each application. Emphasize challenges and opportunities for further enhancement and optimization.
Factors Affecting Photocatalytic Performance: Discuss the factors that affect the photocatalytic performance of cobalt oxide nanoparticles. This includes the effect of nanoparticle size, morphology, crystal structure, doping, surface area, and surface modification. Also, address the influence of reaction parameters like pH, temperature, light intensity, and photocatalyst dosage. Explain how these factors influence the efficiency, selectivity, and stability of cobalt oxide photocatalysts.
Strategies for Enhancing Photocatalytic Activity: Present strategies employed to enhance the photocatalytic activity of cobalt oxide nanoparticles. This may include co-catalyst deposition, heterojunction formation, noble metal doping, ligand engineering, and hybridization with other materials. Explain the mechanisms behind each strategy and their impact on the photocatalytic performance of cobalt oxide.
Conclusion: Summarize the main points discussed in the review, emphasizing the significant advancements, challenges, and future prospects of cobalt oxide nanoparticles in photocatalysis. Provide insights into potential directions for further research and development.
Remember to review and revise your work for clarity, coherence, and accuracy. Cite relevant and up-to-date research articles and review papers to support your claims. Good luck with your comprehensive review on photocatalysis using cobalt oxide nanoparticles!
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The size differ little bit from one species to another, yet they have one size range. Also, the size of them in their native form so they don't lose their colour while isolation.
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Uniprot is a good website for researching specific proteins. For example, you can type phycoerythrin and it will pull up all proteins with that name. Each organism will have a separate entry. Then you can look at data that has been generated by other researchers on that specific protein, including size, function, sequence, etc.
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I have a query about the SEM images; when I analyzed them, they showed some cracks; I stuck to why it can be shown this, what is the reason behind it, and what is the chemistry behind it. I request everyone, please give me an answer as soon as possible; thank you for your attention.
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Your response 'Powders were placed onto the SEM stub after ensuring the samples were thoroughly dried' is confusing. I'm trying to figure out whether your difficulties lie in the starting material (is it a suspension or powder?) itself or the sample preparation for SEM. As others have indicated a drying stage (either prior to or during the evacuation stage in SEM) is likely be responsible. I agree with Vladimir Dusevich that 'Cracks are the least of your problems'. If you had a genuine 'nano' system (100% < 100 nm) and prepared the sample correctly then you should be able to observe separate, discrete, independent particles < 100 nm. At the least you would be showing an aggregation of such particles if this aggregation occurred in the sample preparation stage.
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I have obtained a strange result with electrocoagulation of a dye using aluminum electrode. Instead of having a decrease of removal percentage, I see that the percentage increases with the concentration of dye after it remains constant.
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I've been encountering similar problems lately. The initial concentrations of pollutants were higher evem after electrocoagulation process. I can understand such a scenario if the removal efficiency is 0 but it's quite complicated to explain.
However, thank you Mohamed Khedawy, I'm considering diluting the wastewater and trying the process again.
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I am specifically referring to a product sold by sigma where they do not specify this information. The 10-15% was determined via Na2S2O3 titration, which makes me suspect that it is in w/w, but that is kind of useless given that I dont know the density of the solution. I would hope it is in w/v, meaning grams per liter. Anyone have any insight on this?
I called sigma and they didnt know
Product number: 14010 (Titanium(III)Chloride)
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Reading the Sigma Certificate, I see 10-15% is the acceptable range, and in this instance, what was found was 11%, ie the product complies with the range. It is unclear from the information given whether the 10-15% range is active component, or impurity, merely that the tested sample complies with the requirement. Sorry, as i do not think this will not move you very far forwards.
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l
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Good afternoon Max,
According to my AI desktop, which isn't always as reliable as I'd like:
"The main difference between AEM (Anion-Exchange Membrane) and PEM (Proton Exchange Membrane) is the ion that they transport. PEMs transport protons, while AEMs transport anions.
The main technical difference between AEM and PEM electrolyzers lies in the type of membrane used and the resulting electrochemical reactions that occur."
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Does anyone of you have information about the importance of doing experimental activities (on chemistry) in education? Particularly, doing experimental activities in high school.
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I only worked as a chemistry teacher in high school college for about 3years, the work experiment then are quite interesting to the students
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If yes, would you please provide examples from literature.
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"untargeted analysis" is fine, if the data are valid, but they are not in this case and using them as you suggest is invalid. In any case, now Mohamed Mahmoud has been provided with professional advice that he should not use the raw area % units from his analysis data outside of the one analysis method. To write any more would be repetitive and a waste of Mohamed Mahmoud's time as his question has been answered.
I wish you luck with your classes at school Jokin and thank Mohamed Mahmoud for his patience.
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I work in a single-molecule analysis lab. I have been waiting on a supplier to send sodium bicarbonate for a while, and I want to begin experiments now. We have a stock of sodium bicarbonate from 2017 (five years old). Why can't I use this? Does it really have an expiration date?
I imagine if it does, it may have to do with coming into contact with the air after it was opened so many years ago.
Any help is appreciated. I dont want to do all the experiments only to have them invalidated by the fact that I used old sodium bicarbonate.
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The pH of the solution is not stable and will drift upwards over time. I always prepare a fresh solution from the solid for each day's experiments.
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I am a 3rd year undergraduate student and want to do my specialisation, which is the more advanced field of chemistry. Please guide me.
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First you complete your graduation degree, and then do master degree in chemistry. During the course of master degree, you have learn so many things about the fields of chemistry and your interest will decide your choice. Then you will be able to think on the advances of chemistry.
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I need a research work on the topic "availability and effective utilization of chemistry laboratory facilities by students in the senior high schools in the Tamale metropolitan area"
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Do your students have a budget to work within? Home made equipment can be very cheap, and making and trouble shooting the equipment can be a valuable scientific lesson in itself. I only taught chemistry/general science for a few years (I was mainly a researcher) but cheap pH meters (the students can generate titrate curves for acids such as citric acid), thermometers, and multi-meters lead themselves to many experiments. I'll attach a project I designed for some students in the US.
Good luck.
Phil
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How can I calculate the molar ratio of Mg:P and N:P from the concentrations available in the attached table? Thank you
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To calculate the molar ratio of Mg:P and N:P from the given concentrations, we need to convert the concentrations from mg/L to mol/L.
The molar mass of Mg2+ is 24.31 g/mol, NH4+ is 18.04 g/mol and PO4 3- is 94.97 g/mol.
Let's take the first row of your table as an example:
So, the concentration of Mg2+ in mol/L is:
9363 mg/L * (1 g/1000 mg) * (1 mol/24.31 g) = 0.3852 mol/L
The concentration of NH4+ in mol/L is:
2138 mg/L * (1 g/1000 mg) * (1 mol/18.04 g) = 0.1185 mol/L
The concentration of PO4 3- in mol/L is:
18725 mg/L * (1 g/1000 mg) * (1 mol/94.97 g) = 0.1972 mol/L
The molar ratio of Mg:P is:
0.3852 mol/L / 0.1972 mol/L = 1.95
The molar ratio of N:P is:
0.1185 mol/L / 0.1972 mol/L = 0.60
I hope this helps!
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My question about the struvite precipitation (MgNH4PO4): Is the molar ratio of Mg:P the same as Mg: PO4, and N:P the same as NH4:PO4? Otherwise, Do I have to make any calculations when I convert from one form to another, like Mg:P to Mg: PO4? Thanks!
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In the case of struvite, the N and P refer exclusively to NH4 and PO4. So Mg:P == Mg:PO4 and N:P == NH4:PO4. The molar ratio is the amount of moles per liter. For struvite precipitatione the molar ratio of all 3 components is simply 1:1:1.
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If the Molar Ratio of struvite Mg2+:NH4+:PO4 is (1.6:1:1.2), how can I calculate the molar ratio of Mg:P and N:P? Thank you very much
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Struvite has the formula NH4MgPO4 x6H2O, so the N:Mg:P molar ratio is 1:1:1.
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Hello everybody
I want to simulate MXene by means of molecular dynamics method. But it seems that I need the Mxene atomic structure as a file in .cif, .pdb, or .mol format.
Is it possible for anyone to tell me how I can get the files or how I can build the atomic structure of MXene?
Thank you so much
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Hello,
I want to work on mxene, but I dont know how to draw it in materials studio. Is it possible for you to send me the cif file of M2C and M3C2 mxene ? Or tell me how I can build the MXene?
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Dear Researchers,
I am currently seeking a collaborator who would be willing to cover the Article Processing Charges (APC) for the publication of my research article in the Arabian Journal of Chemistry (AJC). In return, I am offering a significant acknowledgement and co-authorship in our paper, as well as the opportunity to extend our research collaboration.
Research Field: Biophysics
Research direction: [antibacterial activity of nano-composite materials against MDR pathogens]
If you are interested in collaborating and supporting the publication of this research article, kindly reach out to me through private messaging. I would be happy to discuss the details and provide further information about the research and collaboration opportunity.
Thank you for your attention, and I look forward to potential collaborations.
Best regards,
Basit Shah
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Good morning
which kind of paper do you have .. what is the research work .. and if we can contribute in the paper it self not only the APC .. kind regards
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advanced technology, AI, computational chemistry, supramolecular chemistry
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Aside from the already mentioned usage for computational chemistry, there is also potential for all experimental fields, but there it is crucial that the experimentators
  1. provide their data in a standardized form, otherwise the AI's algorithms learn wrong relationships and draw systematically false conclusions.
  2. link their data with suitable metadata, in the best case via a reasonable database. This can be a simple spreadsheet for sample sets of limited complication, for more sophisticated sets a legitimate SQL database will be more helpful.
While I'm not using AI on my data right now, I am eager to keep my data in an "AI-ready" structure so that when we decide to have a bot crawl through our data at some point, maybe a simpler AI of the year 2024 will already find something useful and we won't have to wait for a "careless operator handling" AI of the year 2030.
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Hello, I am trying to run GPC on my samples. However, the GPC available in our lab use THF as an eluent.
My polymer only partially dissolves in THF, but fully dissolve in Chloroform. Hence, I want to ask is it alright if I dissolve my polymer in Chloroform and run it on THF-eluent GPC?
Many Thanks in advance!
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Thank you very much for your answer! Basically my polymer is PHB (Polyhydroxybutyrate) which I belive is not soluble in THF. However, I found this paper in which they did dissolve the polymer in Chloroform and used it on a THF-eluent SEC. I did run a few samples already and it seems to me that everything is alright!
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Here is list of Impact factor 2023.
Journal Citation Reports 2023
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This is not the complete list ... where are all the Human Resource Management journals, for example?
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The protocol specifies to add sodium citrate to TiCl3 (0.5g, 3.24mmol). But this has confused me. How much TiCl3 do I use? I have a stock solution that is 15% TiCl3 (Sigma, product number 1401). The instructions are quite confusing to me.
I could calculate the volume of my stock solution that would contain 0.5g of TiCl3, but I dont understand where the 3.24mmol comes in.
Any help would be greatly appreciated.
The description that I am referencing has been attached as an image and is from the following paper:
Titanium(IV) Citrate Speciation and Structure under Environmentally and Biologically Relevant Conditions | Inorganic Chemistry (acs.org)
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You have got a solution with a concentration expressed as w/w. 15% w/w means your solution contains 15g of TiCl3 (0.082 mol) for 100 g of solution.  You need to know the density to convert it to mol/L, and then you can calculate the volume you need to get 3.24 mmol. If density is - as it should - 1.21g/mL (at 20 °C), then you have that 100 g of your solution correspond to a volume of 82.6 mL (82.6·10–3 L). Hence, your molar concentration is C = 8.2·10–2 mol / 82.6·10–3 L = 0.99 M. Since C = n/V, the volume corresponding to 3.24 mmol is V = 3.24·10–3 mol/0.99M = 3.27 mL.
This having been said, of course your recipe requires a weighed mass of 0.5 g of solid TiCl3. By the way, sigma-Aldrich also sells solid TiCl3 (cat. No. 514381).
I hope this ah help!
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I am looking forward to your answer.
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Nanofluid is a technical term. For example, a dispersed system of magnetite nanoparticles in kerosene is called a nanofluid. A dispersed system in kerosene is a heterogeneous system that consists of two phases of magnetite nanoparticles and kerosene . This system can be studied in chemical thermodynamics. The enthalpy and entropy of such a system cannot be theoretically and experimentally determined. You can only determine their change in some process. For example, we can determine their change if we study the process of compression of such a system from atmospheric pressure to 100 atm.
The entanglement of nanofluids is related to quantum mechanics.
A heterogeneous system of surfactant/water spherical micelles can be attributed to nanofluids. Such a system may have quantum entanglement. It is too long to explain this process on these pages. One must first understand the entanglement of two quanta, decoherence, quantum fluctuations, Schrödinger's cats...
Read articles
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I am working on a research on achievement goal orientation as predictors of secondary school Chemistry students' achievement.
On further research I discovered that I can adopt the achievement goal theory in the course of this research.
I need to understand more about this, and how I can apply it in investigating academic achievement of secondary school Chemistry students'.
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Achievement Goal Theory is a psychological framework that aims to explain how individuals' goals and motivations influence their behavior and performance in achievement settings. The theory suggests that individuals adopt different goal orientations or achievement goal orientations, which shape their behavior and responses to achievement-related situations.
Students with a mastery goal orientation are primarily focused on developing their skills, mastering new knowledge, and improving themselves. While students with a performance goal orientation are primarily focused on demonstrating their competence and outperforming others.
Developed by John Nicholls and Carol Dweck in the 1980s and has been widely studied in the context of education, particularly regarding academic achievement among students.
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I want to use an offline application of a virtual Chemistry Laboratory software that can help students in institutions that lack some basic laboratory equipments to be able to understand chemistry practical.
Applications or softwares that can help them practice simple chemical reactions.
I do have a couple of virtual applications but I need a few suggestions. Thank you
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محتمل
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Kindly provide a list of research funding in the area of chemistry.
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Hi Mariah,
for cross-national funding programs in your field, asking the respective embassies might help.
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I tried to visit the official website for the journal but i can't find the accepted similarity index for a review paper or an article
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If you're interested in the acceptance rates for the Journal of Materials Chemistry C or any other Royal Society of Chemistry (RSC) journal, I recommend visiting the official RSC website or the specific journal's website for the most up-to-date information. Journals often publish their acceptance rates or may provide information on their peer review process, which can give you a better understanding of their publication standards.
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Hi, I would appreciate it if you could explain to me which equation is correct for the second-order reaction. In the most textbooks I see "K" instead of "2K" in the equation. Please also see the attached pictures.
Regards,
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R = K[A][B]
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Hello everyone!
I recently received invitations to contribute an article to the current issue of the Journal of Brilliant Engineering (BEN) and Chemistry and Biochemistry. Can anyone with experience or knowledge about these journals confirm their originality?
Thank you.
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Rahim,
They're certainly original.
But I've read the 'mission statement' of BEN, and can find no compelling reason to submit work there.
Indeed, here's one reason to not submit to the journals run by Prof. Aydin:
I quote from:
"An artificial intelligence based English proof system checks the language of the paper."
Mmm.
Call me old-fashioned, but it shouldn't be too hard to find someone to read a submission who is a native english speaker.
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I am currently doing my master thesis and I have to analyse an IR spectrum of multiple samples. The given sample is supposed to be a specific polymer whose individual monomers i know. It is PBAT (polybutylene adipate terephthalate) which is a random co-polymer made of adipic acid, 1,4-butanediol and terephthalic acid.
Since I have a biology background and not that much chemistry i am struggling a little bit to do the IR spectrum analysis. I read that there are programs or tool with which one can simulate or predict an IR spectrum to compare that with experiment data of actual FTIR scans of the sample.
Anyone has a suggestion what to use or any other tips for me?
Thanks alot for helping out!
Best regards Dominik
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I've used with great success for everything IR search: KnowItAll Analytical Edition Software - Wiley Science Solutions
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Hi
Does anyone know how I can find the specific substructure of each bit in CDK fingerprints and CDK extended fingerprints which are implemented in PaDEL-descriptor and Chemistry Development Kit (CDK) software?
As an example, I am searching for SMILES representation of FP40.
Thanks,
Maryam
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I know this feed is old, but I'm working with CDK and trying to discern FP37 with a similar issue and cannot seem to find any resources on the matter.
Have you found a suitable reference since posting this?
Thanks in advance!
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I want to prepare 1000 ppm of cadmium using CdCl2.H2O
I got different suggestions.
1) Dissolve 2.036 g of CdCl2 in 1 litre of deionized water
2)
1000 ppm = 1000mg/l Cd * 1 g Cd/1000 mg Cd * 201.32/112.411 = 1.790 g Cd/l H2O
where 201.32 = mol wt of cdCl2.H2O
112.411 = elemental mass of Cd
( suggestion was we are to prepare ppm solution of cd and not CdCl2.H2O)
3) Cd (in CdCl2.H2O) equivalent to 1 g elemental Cd
= Mol wt of CdCl2.H2O*100/ At Wt of Cd * Purity of CdCl2.H2O
= 201.32*100/112.411* 98 (% purity of CdCl2.H2O)
= 1.8274 g/l
With different metals, g/l amount for ppm concentration will vary. Am I missing any concept?
Any specific formula for this?
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To prepare 1000 ppm of Cd (112.411 g/mol) using CdCl2 (183.32 g/mol - 99%) : 112.411/183.32 = 0.613 .
1 g (Cd) / 0.613 = 1.63 g (CdCl2)
So : dissolve 1.63 g of CdCl2 in 1L to make 1000 ppm of Cd (1g/L)
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Hi, my name is Bram Wolters and I'm a student of the University of Applied Sciences Arnhem and Nijmegen in the Netherlands. I'm working on a project to make sustainable disposable items for the foodservice industry. The disposable items are made of reed, include forks, knives, spoons, cups, hamburger boxes, bowls etc. We want to pulp it, shape it, cut it and dry it. Only I don't really know which binding material and coating to use. I believe it is possible to use cellulose, but have no expert to confirm. Can someone help me?
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The question is of whether the cellulose might become soluble in aqueous based solutions such as some foods, when the utensils or containers are held together by the cellulose. A waterproof outer lacquer might be needed.
Cellulose analogues are used in medications as a binder/release timing instrument for the active pharmaceutical ingredient. Cellulose is also used in foods, such as grated Parmesan cheese, to absorb moisture to keep the cheese flakes from caking and so they flow properly.
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in order to quantify the concentration of Glycerol monostearate in aqueous solution by UV spectrophotometer, what is the maximum lambda of Glycerol monostearate?
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Dear friend Atefeh Shiri
The wavelength of maximum absorption for glycerol monostearate can vary depending on the solvent used and the concentration of the solution. However, a study published in the Journal of Lipid Research found that the maximum absorption wavelength for glycerol monostearate in methanol is around 230-235 nm. (Reference: https://www.jlr.org/content/16/6/674.abstract)
It is important to note that the specific wavelength of maximum absorption may vary depending on the instrument used and the experimental conditions, so it is recommended to conduct a calibration curve using different concentrations of glycerol monostearate and measuring the absorbance at different wavelengths in order to determine the most suitable wavelength for quantification.
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I see that artbitrary units are commonly used for absorbance, however, as far as I know, this is discouraged, not even officially accepted by IUPAC. However, there are many papers in high impact journals where this is done. The question is: under what conditions is this considered appropriate?
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In the case where you are comparing two or more spectra or peaks and the absolute value of the absorbance is not critical to what is being reported, then arbitrary units should be acceptable. This is generally done to avoid unnecessary complexity in the plots of data.
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I am trying to clean/hydroxylate the surface of a blank silicon chip (with SiO2 layer on surface) by using piranha. I have freshly prepared a 2.5:1 solution of piranha solution (with new peroxide that has been stored in the fridge) and soaked the chips for 30 mins or 90 mins.
I then rinsed the chips with DI water 3x and took a contact angle measurement using DI water within 10 minutes of the piranha treatment and the CA was 45 degrees (an average of 4 measurements on different areas of the chip surface). I have seen in the literature that the CA for a freshly piranha treated Si chip should be around 0-10 degrees, based on the hydrophilic Si-OH surface. Any ideas where this could be going wrong?
TIA :)
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Yüzeydeki silisyum dioksit tabakası temizleme sırasında oksitlenmiştir. Tabaka saf silisyum dioksit ile temizlenmeye çalışılmalıdır.
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I bought indium nitrate hydrate (alfa aesar - purity 99.99%) which is said to be water soluble. However, it does not dissolve well both deionized water and organic solvents, above 20 mM.
Could you please tell me the reason for this?
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Dear friend Boeun Choi
Indium nitrate hydrate is said to be water soluble, but it does not dissolve well both in deionized water and organic solvents above 20 mM. One possible reason for this is that the indium nitrate hydrate is not pure (4.4 Solubility - Chemistry....). Another possibility is that the indium nitrate hydrate is not being dissolved properly. You can try dissolving it in hot water or by adding a small amount of acid (Indium(III) nitrate 99.9 trace metals...).
I hope this helps! Let me know if you have any more questions.
Source:
(1) Indium(III) nitrate 99.9 trace metals 207398-97-8 - Sigma-Aldrich. https://www.sigmaaldrich.com/US/en/product/ALDRICH/326135.
(3) What Happens When Salt Is Added to Water? | Sciencing. https://sciencing.com/happens-salt-added-water-5208174.html.
(4) How can i dissolve Sodium Nitrate in organic solvents?? - ResearchGate. https://www.researchgate.net/post/How-can-i-dissolve-Sodium-Nitrate-in-organic-solvents.
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Specifically interested in purine derivative as a cation of ionic liquid.
Any relevant reading suggestions are highly appreciated. Thanks.
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Yes, there are several purine-based ionic liquids that have been described in the scientific literature.
Examples of purine-based ionic liquids include 1-butyl-3-methylimidazolium adenosine monophosphate ([BMIM][AMP]), which was first synthesized and characterized in 2011 (reference: "Synthesis and characterization of a new purine-based ionic liquid: 1-butyl-3-methylimidazolium adenosine monophosphate" by L. Zhao et al., in Tetrahedron Letters, vol. 52, p. 1130-1133, 2011).
Other examples of purine-based ionic liquids include 1-butyl-3-methylimidazolium guanosine ([BMIM][GMP]) (reference: "Synthesis and characterization of a novel purine-based ionic liquid: 1-butyl-3 -methylimidazolium guanosine" by L. Zhao et al., in Journal of Molecular Liquids, vol. 170, p. 63-66, 2012) and 1-allyl-3-methylimidazolium hypoxanthine ([AMIM][Hpx]) (reference : "Synthesis and Characterization of a New Purine-Based Ionic Liquid: 1-Allyl-3-methylimidazolium Hypoxanthine" by L. Zhao et al., in Chemical Research in Chinese Universities, vol. 32, p. 157-161, 2016) .
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I am currently involved in research for controlling weevils in stored wheat using different essential oils.
What could be the best concentration (microlitres per litre of air) of essential oils for comparison?
We wish to test all the oils at one fixed concentration. We are trying to shortlist a few effective essential oils and test them out at different concentrations.
Is it a good idea?
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Having tested a lot of essential oils for this specific purpose, I can ensure you that different essential oils give very different results. There is also a possibility that fumigation doesn't kill the adults but stops the developements of the eggs inside the grains.
Way of applying the product (fumigation, direct spraying...) also gives different results, so there is no easy direct answer to your question
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give me 3 problems
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Well, if your teacher said that the valence orbitals play the major role in the bond formation, that would actually be pretty close to most current models as the core electrons are just shifted a little in energy. Of course the frontier orbital method used in 1980s organic chemistry is outdated, or as Fleming's newer textbook phrases it, "had no [physical] right to function as well as it did", and of course there is the radical statement "there is no physics in orbitals", but when you ask people who insist upon that what they use instead, the room usually turns pretty quiet.
I wouldn't see this as a major problem in secondary education, though, especially since this question here was about laboratories.
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I have older version of x'pert highscore software and what to do for pdf2, pdf 4? Please suggest me or share the link of x'pert highscore software latest version (free)/ free pdf2, pdf4.
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Both Origin software and X'Pert HighScore software can be used to determine the hkl values of a crystal structure. Here are the steps to follow for each software:
Using Origin software:
1. Open the data file in Origin software and select the graph containing the diffraction pattern.
2. Click on the "Peak Analyzer" button in the toolbar.
3. In the Peak Analyzer window, select the peak of interest by clicking on it.
4. In the "Peak Information" tab, note down the "2Theta" value and the "Counts" value for the peak.
5. Use the Bragg's law equation (2dsinθ = nλ) to calculate the d-spacing value for the peak. Here, n = 1 for first-order diffraction. λ is the wavelength of the X-ray used in the experiment.
6. Use the d-spacing value to calculate the hkl values for the peak using the Miller indices formula (hkl = [n1d1,n2d2,n3d3]).
Using X'Pert HighScore software:
1. Open the data file in X'Pert HighScore software and select the diffraction pattern.
2. Click on the "Peak Fitting" button in the toolbar.
3. In the Peak Fitting window, select the peak of interest by clicking on it.
4. In the "Peak Information" tab, note down the "2Theta" value and the "d-spacing" value for the peak.
5. Use the Bragg's law equation (2dsinθ = nλ) to calculate the wavelength of the X-ray used in the experiment.
6. Use the d-spacing value to calculate the hkl values for the peak using the Miller indices formula (hkl = [n1d1,n2d2,n3d3]).
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I need a research team specialized in chemistry sciences to share research ideas and produce important scientific research
Biochemistry, general chemistry, clinical chemistry, nanoscience, antioxidants, diseases
To communicate
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I am interested Ameer Athab Alameri
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Chatbots, like ChatGPT, can assist chemists by providing quick and reliable answers to their queries related to chemical synthesis or reaction mechanisms. For instance, ChatGPT can suggest the most suitable reaction conditions, reagents, and solvents carry out a particular chemical synthesis. Chatbots can also help reduce the time to carry out literature searches, speeding up the research process.
However, chatbots cannot replace the expertise and knowledge of experienced chemists. They can only suggest possible solutions and answers based on the information I have trained them on. Thus, it's essential to verify the suggestions provided by Chatbots by applying them in the lab and analyzing the results got.
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Great idea Ramin, it can solve not only the chemistry related and also bio- chemistry related problems also
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I am looking for a method to completely remove proteins from plasma without using heat or adding salt ions. I have considered using activated carbon, but I am unsure if this is feasible. Are there any other effective methods for achieving this goal?
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Dear Sir you may try the protein separation with foam fractionation coloumn. it would suppose to help you
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Chemical Informations
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Greetings Ali Safaa
To solve for molarity (M) in the equation:
ppm = M x m.wt x 1000
We can rearrange the equation as follows:
M = ppm / (m.wt x 1000)
So if you have a solution with a concentration of 50 ug/ml and you want to know the molarity, you would first need to know the molecular weight of the solute. Let's say the molecular weight is 100 g/mol.
  1. Convert ug/ml to ppm by multiplying by 1000:
50 ug/ml x 1000 = 50,000 ppm
  1. Plug in the values into the equation:
M = 50,000 ppm / (100 g/mol x 1000)
M = 0.5 M
Therefore, the molarity of the solution is 0.5 M.
It is important to note that ug/ml and ppm are not equivalent units of measurement. Ug/ml is a unit of concentration based on mass per volume, while ppm is a unit of concentration based on the number of parts per million. To convert from ug/ml to ppm, you would need to know the density of the solution and the molecular weight of the solute.
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I prepare a chitosan solution in acetic acid (0.5 M). Some of the small threads are remained in the solution. In literature it is reported that solution is filtered before using. I want to know which filter is suitable for the filtration of chitosan solution?
Thanks
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For filtering chitosan solutions, it is recommended to use a filter with a pore size of 0.2 µm or smaller
One suitable filter for this purpose is a syringe filter with a 0.2 µm pore size, made of materials such as nylon, PVDF, or PTFE. These filters can effectively remove particles and aggregates from chitosan solutions without causing clogging or loss of chitosan
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Hi
I am using copper nitrate salt for my experiments. After 2 years, the salt crystals turned into liquid.
I am using copper nitrate trihydrate salt. Kindly let me know how can i store copper nitrate salt for long term?
Thank you
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Hello Noor Ul Ain ,
Your copper nitrate trihydrate is a deliquescent salt, which means that it will absorb water from the atmosphere and eventually liquify. The only way to slow down this process is to store the bottle containing the salt in a sealed descicator backfilled with dry nitrogen gas. Every time you take out and open the bottle to use some of the salt, you should backfill the bottle with dry nitrigen gas before you screw the bottle lid back on and place the sealed bottle back in the descicator, which you refill with dry nitrogen gas.
Regards,
Tom Cuff
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I have performed drug repositioning to find antifungal activity. I need to explain the possible causes of why some drugs had antifungal activity and others did not. any suggestions?
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Can you be more specific? What is "repositioning" and to what "drugs" do you refer?
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There is some guide or ranking of the better congress of soils and chemical science?
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Since you're located in a pacific country, maybe check out if the PacifiChem has the right segment for you.
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Is there any good chemistry book about heavy metal precipitation/ extraction via chemical / chelate method?
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i don't know
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Hello, I am fairly new to gromacs and molecular dynamics. I want to simulate thiols for starters for some applications and I want to generate the topology file for thiol. I found the PDB and ITP files for sulfanyl from ATB -
and I tried to use ‘pdb2gmx’. I have read up on the documentation but I can’t get it to work. I am stuck on how to modify a forcefield or how to simply create a new one for the molecule. Any help on how to generate the topology and gro files would be appreciated. Thanks
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Hi, you already got the topology file (itp), so you don't need topology.
In your case, just create the protein topology using pdb2gmx and then combine it later. YOu should follow this tutorial:
Just consider the thiol group as a ligand. If you have downloaded it from the ATB, then, I hope the structure and charges are already optimized.
Good luck.
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In the Column treatment of aqueous solution of Chromium Removal by Adsorption
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Treating bark with acid (HCl) first and then with base (NaOH) second is a common method for isolating plant compounds for analysis or extraction, such as tannins, lignin, and cellulose. This method is known as acid-base treatment or A/B extraction.
The reason for this order of treatment is that acid treatment hydrolyzes and breaks down the plant cell walls, making the cell contents more accessible for extraction. Acid treatment can also help to remove impurities, such as pigments and waxes, from the sample.
After acid treatment, the sample is then neutralized with a base, typically sodium hydroxide (NaOH), to restore the pH to a neutral or slightly alkaline state. The neutralization step is important to prevent the acid from interfering with subsequent analytical techniques or reactions.
The use of acid and base treatments in this order allows for selective extraction of different plant compounds based on their solubility and chemical properties. For example, tannins are more soluble in acidic solutions, while lignin and cellulose are more soluble in basic solutions.
Treating the bark with base first would result in a saponification reaction, where the ester linkages in the plant compounds would be hydrolyzed by the base, resulting in a loss of their original structure and properties. Therefore, treating the bark with acid first and then with base is the preferred order for A/B extraction of plant compounds from bark.
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I am looking for a easy-to-use software, which can generate analogues based on one structure. I do not need to teach it what kind of activity compound has, I just need to have the structures generated so I can run it though QSAR (which was already set based on 80 compounds).
Does anyone have experience with this?
I would be grateful for any recommendations.
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Maria Anna Dzierżyńska, ma'am you can try AutoGrow4. It uses a genetic algorithm to evolve predicted ligands on demand and is not limited to a virtual library of pre-enumerated compounds. It can also be used to generate entirely novel drug-like molecules and for optimizing preexisting ligands.
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What is the effect of diluent in nitrosamine recovery?
Candesartan Cilexitil is insoluble in water but we are getting good recovery in water and not in methanol for certain nitrosamines (NDIPA, NDPA). Can anyone suggest chemistry behind that?
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The effect of diluent on nitrosamine recovery can vary depending on the specific diluent used and the chemical properties of the nitrosamines and drug substance. In some cases, the presence of certain solvents or diluents can enhance the recovery of nitrosamines, while in other cases, they can have the opposite effect and decrease the recovery.
Regarding your specific question about candesartan cilexetil, the reason why you are getting good recovery of certain nitrosamines in water but not in methanol could be due to differences in the solubility and chemical properties of the drug substance and nitrosamines in the two solvents.
Candesartan cilexetil is generally considered to be insoluble in water, but it is possible that certain impurities or components in the drug substance could be soluble in water and thus affect the recovery of nitrosamines. On the other hand, methanol is a more polar solvent that may interact differently with the drug substance and nitrosamines.
In addition, the specific nitrosamines in question, NDIPA and NDPA, have different chemical structures and properties, which could affect their solubility and recovery in different solvents. Without more detailed information about the specific experimental conditions and methods being used, it is difficult to provide a definitive answer.
However, in general, factors such as solvent polarity, pH, and temperature can all affect the solubility and recovery of nitrosamines and other impurities during the extraction process. Careful selection of appropriate solvents and optimization of extraction conditions are important to ensure accurate and reliable measurements of nitrosamines and other impurities in drug substances.
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Although formed over thousands of years, carbonate ramps forming where ocean sediments accumulate multicellular algae may be affected by ocean chemistry in such a way as to have a unique morphology.
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Hi Tristan, in my experience with carbonate ramps the role of algae would be secondary to other factors that would, in fact, control the type and distribution of algae. These factors would include the slope of the surface that the ramp grows on and climatic conditions. One good outcrop example comes to mind that you might want to check out: The Permian San Andres (note: not a misspelling of San Andreas) carbonates occur as a series of ramps that gradually give way upward into a rimmed shelf capped by the famous Capitan Reef of Guadalupe Mountains National Park. The literature is voluminous so you could research the role of algae in the ramps vs. rimmed shelves and maybe see something no one has thought of before. Cheers!
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How are deep ocean currents affected by these types of occurences? How is the ocean chemistry equilibrating alobg these geographies?
Do current terrestrial models incorporate data and equations to reflect these types of changes to a static estimation of the biosphere?
Do climate model researchers incorporate models of ecological regions underwater?
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Hydrothermal vents and lava flows can affect upwelling and ocean currents in a number of ways.
Hydrothermal vents are underwater geysers that release hot, mineral-rich water into the ocean. The heat and chemicals released by these vents can create a unique ecosystem that supports a variety of marine life. The heat can also contribute to upwelling, which is the process by which deep, nutrient-rich water rises to the surface. This can have a significant impact on ocean currents, as upwelling can alter the temperature and salinity of the water, affecting the direction and strength of currents.
Lava flows, on the other hand, can create new land masses or alter existing ones, which can also have an impact on ocean currents. For example, the formation of new islands or the alteration of coastlines can affect the direction and strength of currents, as well as the distribution of nutrients and other materials in the water.
The ocean chemistry in these areas is also affected by the release of heat and minerals from hydrothermal vents and the alteration of land masses from lava flows. These changes can create unique chemical environments that support certain types of marine life and affect the overall chemical balance of the ocean in those regions.
Current terrestrial models do incorporate data and equations to reflect the impact of hydrothermal vents and lava flows on the biosphere. However, the extent to which these models incorporate data on deep ocean currents and the impact of underwater ecological regions on climate models may vary.
Climate model researchers do incorporate models of ecological regions underwater, as these regions can play a significant role in the overall climate system. However, there is still much to be learned about the complex interactions between deep ocean currents, underwater ecosystems, and climate change. Ongoing research and data collection are necessary to improve our understanding of these processes and incorporate them into climate models.
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Advantages and disadvantages of teaching chemistry through elective courses. Increasing students' interest in chemistry through elective courses. Organization of elective courses in chemistry. Scientific-pedagogical basis of creating the elective course "Polymer materials". Scientific-pedagogical basis of creating the elective course "Ion exchange materials".
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Hai KS
The effectiveness of teaching chemistry through elective courses depends on many factors, such as the quality and relevance of the course material and the qualifications and enthusiasm of the instructor. Some benefits of teaching through electives include engaging students in the subject, developing students' critical thinking skills, and encouraging independent learning. Disadvantages include unequal distribution of resources and an inability to keep up with the latest developments in the field. To ensure the success of elective courses in chemistry, it is necessary to have a clear scientific-pedagogical basis for their development. This basis should include a thorough introduction to the topics covered in the course and a discussion of their associated practical applications. It is also important to consider course goals and expectations, as well as students' prior knowledge and existing skills. Finally, it is important to create engaging and interactive activities that capture students' interest and motivate them to learn.
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Como es posible solubilizar una membrana de colágeno sin perder la propiedad química del colágeno?
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Extracción de colágeno sin perder las propiedades químicas. Cada método tiene ventajas y desventajas. Piensa que necesitas usar al menos dos métodos. Incluyo adjunto un artículo que compara una "solubilización" ácida y enzimática. Se incluyen varios métodos de caracterización.
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Which software is best for making high-quality graphs? Origin or Excel? Thank you
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Origin is better for Pro
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I am a PhD student in Chemistry.
  • For drawing chemical structures, I have tried using some random softwares like Kingdraw, etc, but the GUI does not seem appealing and not easy to use overall.
  • I have used sometimes the well-known softwares such as ChemDraw and ChemSketch in someone else's device, but I am unable to install them on my device in a straight-forward manner.
  • I am looking for the list of the best drawing tools (softwares/freewares) which are easily accessible and will faciliate to draw better quality chemical structures, good enough for publications in peer-reviewed journals.
  • Your help, suggestions, feedbacks, links are highly valued and appreciated from my end.
With Many thanks,
Janaki Devi Somasundaram
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Dear Janaki Devi Somasundaram
If you need use the software for organic chemical structures i advise https://biomodel.uah.es/en/DIY/JSME/draw.es.htm from Alcalá University, many times I used for draw and was really usefull, is free and you can use online don't need download.
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Good morning everyone. They know some pages about virtual chemistry laboratories, with special attention to high school education.
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I am a researcher in chemistry, in which I have to use Pd as a catalyst. In every reaction, I have to change the millimoles of the reactants. But I can't understand how to calculate the millimoles of catalyst that should be used in a reaction according to millimoles of reactants or according to millimoles of the reactant on which the catalyst is attached during the reaction mechanism.
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One is using 5 or 10 % Pd on carbon to conduct hydrogenation of a number of functional groups in substances, then other factors are the solvent; the hydrogen pressure one provides to the Parr apparatus (and conduct the shaking in a constant way). One can calculate the amount but Pd/C is a catalyst which means that after reaction it will be present in almost quantitative way. I would advise to check the literature and take into account the amount of Pd/C which is reasonable. At the limit if you would use equal millimoles Pd/C and substrate, your reaction might not proceed quicker. In making 100 substances during my Ph.D I have always used say 50-100 mg for 20-25 g of substrate (I NEVER calculated millimoles). One reaction I recall is the conversion of 4-nitro-anthranilic acid to 4-amino-anthranilic acid with Pd/C in ethanol overnight at 3 bar hydrogen overnight.
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Hi there,
I know that some UK universities can provide PhD by publications in medical sciences, but I cannot have idea about which universities worldwide that provide PhD by publications in chemistry.
Please let me know if there is any information
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What you are searching for is a so-called "cumulative doctoral thesis" [or in German "kumulative Promotion"]. There are some universities which offer it as an option, although I am not aware of any database on the issue.
If you have it as an option, it's probably a nice thing, but publications in general aren't plannable before your PhD work assuming you don't set a low bar for your research, so you must always stay ready to write a monography thesis.
In any case, I wouldn't recommend making that the top priority for choosing which group you join. The major criteria should be (a) that the topic is interesting enough for you to spend several yours of your life on it and (b) that the group you join is decently managed.
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Please spread the word: Folding at Home (https://foldingathome.org/) is an extremely powerful supercomputer composed of thousands of home computers around the world. It tries to simulate protein folding to Fight diseases. We can increase its power even further by simply running its small program on our computers and donating the spare (already unused and wasted) capacity of our computers to their supercomputation.
After all, a great part of our work (which is surfing the web, writing texts and stuff, communicating, etc.) never needs more than a tiny percent of the huge capacity of our modern CPUs and GPUs. So it would be very helpful if we could donate the rest of their capacity [that is currently going to waste] to such "distributed supercomputer" projects and help find cures for diseases.
The program runs at a very low priority in the background and uses some of the capacity of our computers. By default, it is set to use the least amount of EXCESS (already wasted) computational power. It is very easy to use. But if someone is interested in tweaking it, it can be configured too via both simple and advanced modes. For example, the program can be set to run only when the computer is idle (as the default mode) or even while working. It can be configured to work intensively or very mildly (as the default mode). The CPU or GPU can each be disabled or set to work only when the operating system is idle, independent of the other.
Please spread the word; for example, start by sharing this very post with your contacts.
Also give them feedback and suggestions to improve their software. Or directly contribute to their project.
Folding at Home's Forum: https://foldingforum.org/index.php
Folding at Home's GitHub: https://github.com/FoldingAtHome
Additionally, see other distributed supercomputers used for fighting disease:
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Vahid Rakhshan I will definitely spread the word about this amazing initiative. It's great to know that we can contribute to such a noble cause by simply utilizing our excess computer power. Thank you for bringing this opportunity to my attention. Let's join hands in making a difference in the fight against diseases.
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I am currently planning some lab work that requires me to dissolve tris(2,20 -bipyridyl) ruthenium(III) chloride hexahydrate dye in a solvent in order develop a calibration curve relating phosphorescence lifetime and quencher concentration (In this case O2 is the quencher). I'm currently trying to figure out what solvent is best for the application. My background is in biomedical engineering and not chemistry, so my reasonably basic knowledge chemistry is not much help!
I had considered water as a solvent but figured the presence of dissolved O2 would potentially lead to inaccuracies in the oxygen concentration for the calibration curve. If I used a Schlenk line of nitrogen to remove the dissolved O2, would degassed water be a viable option for the solvent?
In regards to mixing O2 with the solvent and maintaining a desired O2 concentration within the solution, I have read articles where a mass flow controller was used to achieve desired O2 concentration, can anyone confirm this method? Any suggestions / guidance is greatly appreciated!
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I would not recommend to add [Ru(II)(bpy)3]2+ to your sample. Illumination of your sample with 454 nm light will result in an extremely complex photochemically initiated processes in your sample. In commercially available O2-sensors the sample is separated from [Ru(II)(bpy)3]2+ solution by a membrane. Such a sensor is a pretty complex device but not very expensive (several hundred US$).
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I’d like to determine the monomer conversion through gel fraction. The experimental process I read in some papers was described in a simple way, omitting some details. I wonder how to filter the soluble substances and the insoluble one? In what way?
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Measuring the gel fraction is important in determining the monomer conversion in polymerization processes. The gel fraction is defined as the fraction of the polymerized material that has formed a three-dimensional network, which is insoluble in the solvent used for polymerization.
  1. Filter the reaction mixture: After the complete polymerization reaction, the mixture is filtered to separate the insoluble gel from the soluble monomers and other reaction by-products. This can be done using filter paper or a filtering centrifuge. To measure the gel fraction, the following steps can be taken:
  2. Wash the gel: The filtered gel is then washed with the solvent used for polymerization to remove any residual monomers and other soluble substances. This can be done by repeatedly resuspending the gel in the solvent and filtering it.
  3. Dry the gel: After washing, the gel is dried in an oven or vacuum drier to remove any remaining solvent.
  4. Weigh the gel: Finally, the dried gel is weighed to determine the gel fraction. The gel fraction is calculated as the gel's weight divided by the reaction mixture's total weight.
It is important to note that the gel fraction can be affected by various factors, such as the type and amount of initiator used, the temperature and pressure conditions, and the molecular weight of the polymer. Therefore, it is important to carefully control these variables and standardize the measurement procedure to ensure accurate and reproducible results.
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I want to deacetylate the chitosan in sodium hydroxide (50 % w/w) solution. Does that mean 50 g NaOH in 50 mL of distilled water? What should be the appropriate time and temperature for the complete process? There are different temperatures and times are reported in literature.
Thank you for your help!
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The reaction time and the temprature depends on the level of deacetylation that you would like to achieve. If you let your mixture react longer then the level of deacetylation will be higher.
You might need to experiment a bit till you get a product that has the desired characteristics. Or if you have a procedure for a product with the desired characteristics in the literature then you can simply follow that and get some good results.
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I am trying to optimise an organic molecule using Avogadro software, and when I draw the molecule according to the correct sterochemistry (some bonds coming towards the screen and some going away from the screen) whenever I optimise the molecule using one of the forcefields the stereo chemistry starts to change and therefore some bonds face the wrong plane, is there a way to optimise the molecule without changing its stereochemistry in avogadro software?
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Hi Wares,
This is very odd, and I have yet to experience such a problem. I guess that we are talking about point chirality where a carbon atom is a stereogenic center, and not axial or planar chirality? Could you share the molecule that you're talking about? Maybe that could give some insight into the issue.
Also, I would suggest you not to use molecular mechanics for the optimization (Avogadro offers only MM), but rather semiempirical methods or, even better, some DFT calculations. For semiempirical calculations, you could try ArgusLab software, it is free and fairly easy to use. It is getting a bit dated by now, but you'll get somewhat reasonable structures (for sure better than MM optimization). Also, MOPAC is a good software if you have some experience using it, but otherwise, I'd suggest using ArgusLab. However, DFT is the way to go if you need good structures. There are some free software packages (such as NWChem or GAMESS), and you could use Avogadro as a graphical interface.
Hope this helps.
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I made several reactions with 3,5-Dinitrobenzoyl chloride. When I looked at similar reactions for this substance, no heat was ever given in the reaction (even though heat increases the yield).
The interesting thing is that this substance turns black as soon as the heat is given to the reaction environment. Due to the fact that, theoretically, the polymerization of this material is impossible. Do you know the reason why they do not give heat to this material?
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If we have a crystal with a coordination number of five, triangular bipyramidal(TBP) and square pyramid(SP) are expected. An intermediate state may also be obtained due to Barry's pseudo-rotation. But if the crystal data did not match any of the structures and the shape deviation was excessive, what structure should be reported? I also used the following formula, but it didn't work. What structure should I report?
•Pictures from reference, Chemistry of coordination compounds by M.M.Pouramini, N.Safari, K.Darzinezhad