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A theoretical investigation of the lead-free double perovskites halides Rb2 XCl6 (X = Se, Ti) for optoelectronic and thermoelectric applications

Al-Qaisi S, Mebed AM, Mushtaq M, Rai DP, Alrebdi TA, Sheikh RA, et al.

J Comput Chem, 2023 Jul 15;44(19):1690-1703.
PMID: 37093704 DOI: 10.1002/jcc.27119

In this study, structural, electronic, optical, thermoelectric, and thermodynamics properties of vacancy-ordered double perovskites Rb2 XCl6 (X = Se, Ti) were explored theoretically. The results revealed that Rb2SeCl6 and Rb2 TiCl6 are indirect band gap (Eg ) semiconductors with Eg values of 2.95 eV, and 2.84 eV respectively. The calculated properties (phonons, elastic constant, Poisson's ratio, and Pugh's ratio) revealed that both materials are dynamically and chemically stable and can exhibit brittle (Rb2 SeCl6 ) and ductile (Rb2 TiCl6 ) nature. From the analysis of optical parameters, it was noticed that the refractive index of the materials has a value of 1.5-2.0 where light absorption was found from the visible to the ultraviolet region. The thermoelectric properties determined by using the BoltzTrap code demonstrated that at room temperature, the Figure of merit (ZT) was found to be 0.74 and 0.76 for Rb2 SeCl6 and Rb2 TiCl6 , respectively. Despite a moderate value of ZT in such materials, further studies might explore effective methods for tuning the electronic band gap and improving the thermoelectric response of the material for practical energy production applications.

Matched MeSH terms: Inorganic Chemicals*
Fulltext Corn cobs and sugar cane waste as a viscosivier in drilling fluid

Ahmad Zakuan Ahmad Azmi, Mohd. Saaid, Irawan, Sonny

Pertanika Journal of Science & Technology, 2009;17(1):-.
MyJurnal

The present project investigated the potential of utilizing corncobs and sugar cane waste as viscosivier in drilling fluid. For this purpose, the synthetic-based drilling fluid, Sarapar 147, was used as the base fluid. Both the materials were subjected to pre-treatment of drying, dehumidifying, grinding and sieving process prior to rheological tests. The rheological tests were conducted in accordance with the API 13B specifications to measure mud density, plastic viscosity, yield point, 10-second and 10-minute gel strength. The study found that plastic viscosity and yield point had a direct relationship with the amount of materials added. To drill fluid additive with corn cobs, the density, plastic viscosity and yield point were increased when the amount of additives were increased. Based on these experiments, both additives were found to have the potential to be used as additive in drilling fluid. In particular, they were able to improve its rheological properties by increasing the density, plastic viscosity and yield point. The suitable concentration for the corn cobs and sugar cane is 6.45 lb/bbl and 9.43 lb/bbl, respectively.

Matched MeSH terms: Inorganic Chemicals
Inhibitors of leishmania mexicana phosphoglycerate mutase identified by virtual screening and verified by inhibition studies

Fazia Adyani Ahmad Fuad, Houston Douglas R, Michels Paul AM, Fothergill-gilmore Linda A, Walkinshaw Malcolm D

Sains Malaysiana, 2016;45:1113-1120.

Cofactor-independent phosphoglycerate mutase has been proposed as a therapeutic target for the treatment of
trypanosomatid diseases. In this paper, we report the identification of compounds that could potentially be developed as
selective inhibitors of cofactor-independent phosphoglycerate mutase from Leishmania mexicana (LmiPGAM). Virtual
screening was used in this search, as well as compounds identified by high-throughput screening. A ligand-based virtual
screen programme, ultra fast shape recognition with atom types (UFSRAT), was used to screen for compounds resembling
the substrate/product, before a structure-based approach was applied using AutoDock 4 and AutoDock Vina in a consensus
docking scheme. In this way eight selected compounds were identified. In addition, three compounds from the Library of
Pharmacologically Active Compounds (LOPAC) were selected from the published results of high-throughput screening of
this library. The inhibitory effects of these compounds were tested at a fixed concentration of 1 mM. The results showed
that seven compounds inhibited LmiPGAM activity and of these, two compounds (one each from high-throughput and
virtual screening) showed substantial inhibition (i.e. 14% and 49% remaining activity, respectively). Taken together, the
findings from this study indicate that these compounds have potential as novel inhibitors that specifically target LmiPGAM.

Matched MeSH terms: Inorganic Chemicals
Recent Progress in Delivery of Therapeutic and Imaging Agents Utilizing Organic-Inorganic Hybrid Nanoparticles

Haque ST, Chowdhury EH

Curr Drug Deliv, 2018;15(4):485-496.
PMID: 29165073 DOI: 10.2174/1567201814666171120114034

BACKGROUND: Delivery of conventional small molecule drugs and currently evolving nucleic acid-based therapeutics, such as small interfering RNAs (siRNAs) and genes, and contrast agents for high resolution imaging, to the target site of action is highly demanding to increase the therapeutic and imaging efficacy while minimizing the off-target effects of the delivered molecules, as well as develop novel therapeutic and imaging approaches.
METHODS: We have undertaken a structured search for peer-reviewed research and review articles predominantly indexed in PubMed focusing on the organic-inorganic hybrid nanoparticles with evidence of their potent roles in intracellular delivery of therapeutic and imaging agents in different animal models.
RESULTS: Organic-inorganic hybrid nanoparticles offer a number of advantages by combining the unique properties of the organic and inorganic counterparts, thus improving the pharmacokinetic behavior and targetability of drugs and contrast agents, and conferring the exclusive optical and magnetic properties for both therapeutic and imaging purposes. Different polymers, lipids, dendrimers, peptides, cell membranes, and small organic molecules are attached via covalent or non-covalent interactions with diverse inorganic nanoparticles of gold, mesoporous silica, magnetic iron oxide, carbon nanotubes and quantum dots for efficient drug delivery and imaging purposes.
CONCLUSION: We have thus highlighted here the progress made so far in utilizing different organicinorganic hybrid nanoparticles for in vivo delivery of anti-cancer drugs, siRNA, genes and imaging agents.

Matched MeSH terms: Inorganic Chemicals/administration & dosage; Inorganic Chemicals/chemistry*
Fulltext Synthesis, anti-leishmanial and molecular docking study of bis-indole derivatives

Taha M, Uddin I, Gollapalli M, Almandil NB, Rahim F, Farooq RK, et al.

BMC Chem, 2019 Dec;13(1):102.
PMID: 31410413 DOI: 10.1186/s13065-019-0617-4

We have synthesized new series of bisindole analogs (1-27), characterized by 1HNMR and HR-EI-MS and evaluated for their anti-leishmanial potential. All compounds showed outstanding inhibitory potential with IC50 values ranging from 0.7 ± 0.01 to 13.30 ± 0.50 µM respectively when compared with standard pentamidine with IC50 value of 7.20 ± 0.20 µM. All analogs showed greater potential than standard except 10, 19 and 23 when compared with standard. Structure activity relationship has been also established for all compounds. Molecular docking studies were carried out to understand the binding interaction of active molecules.

Matched MeSH terms: Inorganic Chemicals
Recent advances in enhancing the sensitivity of electrophoresis and electrochromatography in capillaries and microchips (2014-2016)

Breadmore MC, Wuethrich A, Li F, Phung SC, Kalsoom U, Cabot JM, et al.

Electrophoresis, 2017 01;38(1):33-59.
PMID: 27678139 DOI: 10.1002/elps.201600331

One of the most cited limitations of capillary (and microchip) electrophoresis is the poor sensitivity. This review continues to update this series of biennial reviews, first published in Electrophoresis in 2007, on developments in the field of on-line/in-line concentration methods in capillaries and microchips, covering the period July 2014-June 2016. It includes developments in the field of stacking, covering all methods from field amplified sample stacking and large volume sample stacking, through to isotachophoresis, dynamic pH junction, and sweeping. Attention is also given to on-line or in-line extraction methods that have been used for electrophoresis.

Matched MeSH terms: Inorganic Chemicals/analysis
Mining resettlement and rural development in Malaysia

Khalid HN

Asia Pac J Rural Dev, 1992 Jul;2(1):75-93.
PMID: 12344616
Matched MeSH terms: Inorganic Chemicals
Fulltext Trace Element Assessment in Fingernails of Adult Females

LAURA DINES NGAU, BOON SIONG WEE, NAZARATUL ASHIFA ABD SALIM

Trends in Undergraduate Research, 2018;1(1):0-0.
MyJurnal

Trace elements play a significant role in giving nutritional benefits to the body because they act as essential cofactors for all physiological processes. However, there are some trace elements which may bring more harm than good when entering the human body. Due to its ability to incorporate trace elements in an amount that is proportional to an individual’s dietary intake and environmental exposure, human fingernails are suitable biomarkers in assessing the health status of an individual as they reflect on the trace element concentration present in the body. This study has analysed fingernail samples of 23 adult females residing in Kuching and Kota Samarahan, Sarawak, Malaysia for four elements, namely Cd, Cu, Pb and Zn. By using flame atomic absorption spectroscopy (FAAS), the mean elemental concentrations found in fingernail samples of research participants were 171.8 ± 33.8 μg/g for Zn, 27.8 ± 14.8 μg/g for Cu and 2.64 ± 0.94 μg/g for Pb. Cd concentrations were not able to be detected as they were below the detection limits. A standard reference material, NIST 1568b Rice Flour was used to verify the methods used in elemental analysis using FAAS. Independent t-test which was used to compare the means of Zn and Cu between vegetarians and non-vegetarians showed no significant differences for both elements. Moreover, correlation analysis showed negative correlations between Cu/Zn pair and Pb/Zn pair, whereas significant positive correlation was obtained for Cu/Pb pair. The overall data from this study showed good agreements with data obtained from studies in other countries. Therefore, the current data in this study represents the latest background elemental concentrations in fingernails of the residents in Kuching and Kota Samarahan, Sarawak.

Matched MeSH terms: Inorganic Chemicals
The effect of oral contraceptives in Malaysians: 1. iron metabolism and erythropoiesis

Jaffar Ali, Hamid Arshat, Khalid Hassan, Noor Laily Abu Bakar

Malays J Reprod Health, 1983 Jan;1(1):60-8.
PMID: 12279891
Matched MeSH terms: Inorganic Chemicals
Electrolyte profile of Malaysian mothers' milk

Alaudeen S, Muslim N, Faridah K, Azman A, Arshat H

Malays J Reprod Health, 1988 Dec;6(2):102-7.
PMID: 12342169

PIP: The influence of socioeconomic status (ethnicity, income and parity) on electrolyte composition (sodium and potassium) in human milk is little known. We have thus quantitatively analyzed approximately 700 samples of milk (1-90 days postpartum) obtained from healthy Malaysian mothers' (Malay, Chinese and Indians) of full term infants. Results show that the mean concentration (mmol/l) of sodium is highest (48.2+or-1.7, Mean+or-SEM) in the Malaysian mothers' colostrum and this value decreased by 30% in their transitional milk and remained constant throughout subsequent days of lactation (mature milk). Ethnically, it is found that the level of sodium in colostrum of Malay and Chinese mothers were similar while the Indian mothers' colostrum showed apparently higher value (52.7+or-3.4 mmol/l) that is statistically insignificant. The transitional milk of all 3 ethnic groups studied exhibited similar levels of sodium. On subsequent days of lactation (mature milk) the Malay mothers exhibited lowest concentration (25.9+or-2.6 mmol/l) of sodium that is significantly (P0.05) different from that of Chinese and Indian mothers. Income and parity do not significantly affect the sodium level in Malaysian mothers' milk during all stages of lactation studied. The level of potassium, however did not change significantly with days of lactation. Like sodium, potassium too was not influenced by income and parity. (Author's).

Matched MeSH terms: Inorganic Chemicals