Displaying publications 81 - 100 of 449 in total

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  1. Rezania S, Ponraj M, Talaiekhozani A, Mohamad SE, Md Din MF, Taib SM, et al.
    J Environ Manage, 2015 Nov 1;163:125-33.
    PMID: 26311085 DOI: 10.1016/j.jenvman.2015.08.018
    The development of eco-friendly and efficient technologies for treating wastewater is one of the attractive research area. Phytoremediation is considered to be a possible method for the removal of pollutants present in wastewater and recognized as a better green remediation technology. Nowadays the focus is to look for a sustainable approach in developing wastewater treatment capability. Water hyacinth is one of the ancient technology that has been still used in the modern era. Although, many papers in relation to wastewater treatment using water hyacinth have been published, recently removal of organic, inorganic and heavy metal have not been reviewed extensively. The main objective of this paper is to review the possibility of using water hyacinth for the removal of pollutants present in different types of wastewater. Water hyacinth is although reported to be as one of the most problematic plants worldwide due to its uncontrollable growth in water bodies but its quest for nutrient absorption has provided way for its usage in phytoremediation, along with the combination of herbicidal control, integratated biological control and watershed management controlling nutrient supply to control its growth. Moreover as a part of solving wastewater treatment problems in urban or industrial areas using this plant, a large number of useful byproducts can be developed like animal and fish feed, power plant energy (briquette), ethanol, biogas, composting and fiber board making. In focus to the future aspects of phytoremediation, the utilization of invasive plants in pollution abatement phytotechnologies can certainly assist for their sustainable management in treating waste water.
    Matched MeSH terms: Waste Water/chemistry*
  2. Meor Mohd Affandi MM, Tripathy M, Shah SA, Majeed AB
    Drug Des Devel Ther, 2016;10:959-69.
    PMID: 27041998 DOI: 10.2147/DDDT.S94701
    We examined the solubility of simvastatin in water in 0.01 mol·dm(-3), 0.02 mol·dm(-3), 0.04 mol·dm(-3), 0.09 mol·dm(-3), 0.18 mol·dm(-3), 0.36 mol·dm(-3), and 0.73 mol·dm(-3) arginine (ARG) solutions. The investigated drug is termed the solute, whereas ARG the cosolute. Phase solubility studies illustrated a higher extent of solubility enhancement for simvastatin. The aforementioned system was subjected to conductometric and volumetric measurements at temperatures (T) of 298.15 K, 303.15 K, 308.15 K, and 313.15 K to illustrate the thermodynamics involved and related solute-solvent interactions. The conductance values were used to evaluate the limiting molar conductance and association constants. Thermodynamic parameters (ΔG (0), ΔH (0), ΔS (0), and E s) for the association process of the solute in the aqueous solutions of ARG were calculated. Limiting partial molar volumes and expansibilities were evaluated from the density values. These values are discussed in terms of the solute-solvent and solute-cosolute interactions. Further, these systems were analyzed using ultraviolet-visible analysis, Fourier-transform infrared spectroscopy, and (13)C, (1)H, and two-dimensional nuclear overhauser effect spectroscopy nuclear magnetic resonance to complement thermophysical explanation.
    Matched MeSH terms: Water/chemistry
  3. Muraoka M, Susuki N, Yamaguchi H, Tsuji T, Yamamoto Y
    J Vis Exp, 2016 Mar 21.
    PMID: 27023374 DOI: 10.3791/53956
    Methane hydrates (MHs) are present in large amounts in the ocean floor and permafrost regions. Methane and hydrogen hydrates are being studied as future energy resources and energy storage media. To develop a method for gas production from natural MH-bearing sediments and hydrate-based technologies, it is imperative to understand the thermal properties of gas hydrates. The thermal properties' measurements of samples comprising sand, water, methane, and MH are difficult because the melting heat of MH may affect the measurements. To solve this problem, we performed thermal properties' measurements at supercooled conditions during MH formation. The measurement protocol, calculation method of the saturation change, and tips for thermal constants' analysis of the sample using transient plane source techniques are described here. The effect of the formation heat of MH on measurement is very small because the gas hydrate formation rate is very slow. This measurement method can be applied to the thermal properties of the gas hydrate-water-guest gas system, which contains hydrogen, CO2, and ozone hydrates, because the characteristic low formation rate of gas hydrate is not unique to MH. The key point of this method is the low rate of phase transition of the target material. Hence, this method may be applied to other materials having low phase-transition rates.
    Matched MeSH terms: Water/chemistry
  4. Razak RA, Abdullah MM, Hussin K, Ismail KN, Hardjito D, Yahya Z
    Int J Mol Sci, 2015;16(5):11629-47.
    PMID: 26006238 DOI: 10.3390/ijms160511629
    This paper presents the mechanical function and characterization of an artificial lightweight geopolymer aggregate (ALGA) using LUSI (Sidoarjo mud) and alkaline activator as source materials. LUSI stands for LU-Lumpur and SI-Sidoarjo, meaning mud from Sidoarjo which erupted near the Banjarpanji-1 exploration well in Sidoarjo, East Java, Indonesia on 27 May 2006. The effect of NaOH molarity, LUSI mud/Alkaline activator (LM/AA) ratio, and Na2SiO3/NaOH ratio to the ALGA are investigated at a sintering temperature of 950 °C. The results show that the optimum NaOH molarity found in this study is 12 M due to the highest strength (lowest AIV value) of 15.79% with lower water absorption and specific gravity. The optimum LUSI mud/Alkaline activator (LM/AA) ratio of 1.7 and the Na2SiO3/NaOH ratio of 0.4 gives the highest strength with AIV value of 15.42% with specific gravity of 1.10 g/cm3 and water absorption of 4.7%. The major synthesized crystalline phases were identified as sodalite, quartz and albite. Scanning Electron Microscope (SEM) image showed more complete geopolymer matrix which contributes to highest strength of ALGA produced.
    Matched MeSH terms: Water/chemistry
  5. Zakaria MR, Hirata S, Fujimoto S, Hassan MA
    Bioresour Technol, 2015 Oct;193:128-34.
    PMID: 26125612 DOI: 10.1016/j.biortech.2015.06.074
    Combined pretreatment with hot compressed water and wet disk milling was performed with the aim to reduce the natural recalcitrance of oil palm biomass by opening its structure and provide maximal access to cellulase attack. Oil palm empty fruit bunch and oil palm frond fiber were first hydrothermally pretreated at 150-190° C and 10-240 min. Further treatment with wet disk milling resulted in nanofibrillation of fiber which caused the loosening of the tight biomass structure, thus increasing the subsequent enzymatic conversion of cellulose to glucose. The effectiveness of the combined pretreatments was evaluated by chemical composition changes, power consumption, morphological alterations by SEM and the enzymatic digestibility of treated samples. At optimal pretreatment process, approximately 88.5% and 100.0% of total sugar yields were obtained from oil palm empty fruit bunch and oil palm frond fiber samples, which only consumed about 15.1 and 23.5 MJ/kg of biomass, respectively.
    Matched MeSH terms: Water/chemistry*
  6. Lee CS, Chong MF, Robinson J, Binner E
    J Environ Manage, 2015 Jul 1;157:320-5.
    PMID: 25929197 DOI: 10.1016/j.jenvman.2015.04.028
    The production of natural biopolymers as flocculants for water treatment is highly desirable due to their inherent low toxicity and low environmental footprint. In this study, bio-flocculants were extracted from Hibiscus/Abelmoschus esculentus (okra) by using a water extraction method, and the extract yield and its performance in sludge dewatering were evaluated. Single factor experimental design was employed to obtain the optimum conditions for extraction temperature (25-90 °C), time (0.25-5 h), solvent loading (0.5-5 w/w) and agitation speed (0-225 rpm). Results showed that extraction yield was affected non-linearly by all experimental variables, whilst the sludge dewatering ability was only influenced by the temperature of the extraction process. The optimum extraction conditions were obtained at 70 °C, 2 h, solvent loading of 2.5 w/w and agitation at 200 rpm. Under the optimal conditions, the extract yield was 2.38%, which is comparable to the extraction of other polysaccharides (0.69-3.66%). The bio-flocculants displayed >98% removal of suspended solids and 68% water recovery during sludge dewatering, and were shown to be comparable with commercial polyacrylamide flocculants. This work shows that bio-flocculants could offer a feasible alternative to synthetic flocculants for water treatment and sludge dewatering applications, and can be extracted using only water as a solvent, minimising the environmental footprint of the extraction process.
    Matched MeSH terms: Water/chemistry*
  7. Oon YL, Ong SA, Ho LN, Wong YS, Oon YS, Lehl HK, et al.
    Bioresour Technol, 2015 Jun;186:270-5.
    PMID: 25836035 DOI: 10.1016/j.biortech.2015.03.014
    An innovative design of upflow constructed wetland-microbial fuel cell (UFCW-MFC) planted with cattail was used for simultaneous wastewater treatment and electricity generation. The electrodes material employed in the study was carbon felt. The main aim of this study is to assess the performance of the UFCW coupling with MFC in term of ability to treat wastewater and the capability to generate bioelectricity. The oxidation reduction potential (ORP) and dissolved oxygen (DO) profile showed that the anaerobic and aerobic regions were well developed in the lower and upper bed, respectively, of UFCW-MFC. Biodegradation of organic matter, nitrification and denitrification was investigated and the removal efficiencies of COD, NO3(-), NH4(+) were 100%, 40%, and 91%, respectively. The maximum power density of 6.12 mW m(-2) and coulombic efficiency of 8.6% were achieved at electrode spacing of anode 1 (A1) and cathode (15 cm).
    Matched MeSH terms: Waste Water/chemistry*
  8. Sahid IB, Teoh SS
    Bull Environ Contam Toxicol, 1994 Feb;52(2):226-30.
    PMID: 8123982
    Matched MeSH terms: Water/chemistry
  9. Salleh AB, Taib M, Basri M, Ampon K, Yunus WM, Razak CN
    Ann N Y Acad Sci, 1996 Oct 12;799:328-31.
    PMID: 8958097
    Matched MeSH terms: Water/chemistry*
  10. Ooi CH, Ng SK, Omar EA
    Appl Physiol Nutr Metab, 2020 May;45(5):513-519.
    PMID: 31675478 DOI: 10.1139/apnm-2019-0553
    There is emerging evidence that hydrogen-rich water (H2-water) has beneficial effects on the physiological responses to exercise. However, few studies investigate its ergogenic potential. This randomized controlled trial examined the effects of H2-water ingestion on physiological responses and exercise performance during incremental treadmill running. In a double-blind crossover design, 14 endurance-trained male runners (age, 34 ± 4 years; body mass, 63.1 ± 7.2 kg; height, 1.72 ± 0.05 m) were randomly assigned to ingest 2 doses of 290-mL H2-water or placebo on each occasion. The first bolus was given before six 4-min submaximal running bouts, and the second bolus was consumed before the maximal incremental running test. Expired gas, heart rate (HR), and ratings of perceived exertion (RPE) were recorded; blood samples were collected at the end of each submaximal stage and post maximal running test. Cardiorespiratory responses, RPE, and blood gas indices were not significantly different at each submaximal running intensity (range: 34%-91% maximal oxygen uptake) between H2-water and placebo trials. No statistical difference was observed in running time to exhaustion (618 ± 126 vs. 619 ± 113 s), maximal oxygen uptake (56.9 ± 4.4 vs. 57.1 ± 4.7 mL·kg-1·min-1), maximal HR (184 ± 7 vs. 184 ± 7 beat·min-1), and RPE (19 ± 1 vs. 19 ± 1) in the runners between the trials. The results suggest that the ingestion of 290 mL of H2-water before submaximal treadmill running and an additional dose before the subsequent incremental running to exhaustion were not sufficiently ergogenic in endurance-trained athletes. Novelty Acute ingestion of H2-water does not seem to be ergogenic for endurance performance. A small dose of H2-water does not modulate buffering capacity during intense endurance exercise in athletes.
    Matched MeSH terms: Drinking Water/chemistry*
  11. Khan MA, Alqadami AA, Otero M, Siddiqui MR, Alothman ZA, Alsohaimi I, et al.
    Chemosphere, 2019 Mar;218:1089-1099.
    PMID: 30609488 DOI: 10.1016/j.chemosphere.2018.11.210
    Efforts to improve water quality have led to the development of green and sustainable water treatment approaches. Herein, nitrogen-doped magnetized hydrochar (mSBHC-N) was synthesized, characterized, and used for the removal of post-transition and transition heavy metals, viz. Pb2+ and Cd2+ from aqueous environment. mSBHC-N was found to be mesoporous (BET surface area - 62.5 m2/g) and paramagnetic (saturation magnetization - 44 emu/g). Both, FT-IR (with peaks at 577, 1065, 1609 and 3440 cm-1 corresponding to Fe - O stretching vibrations, C - N stretching, N - H in-plane deformation and stretching) and XPS analyses (with peaks at 284.4, 400, 530, 710 eV due to C 1s, N 1s, O 1s, and Fe 2p) confirmed the presence of oxygen and nitrogen containing functional groups on mSBHC-N. The adsorption of Pb2+ and Cd2+ was governed by oxygen and nitrogen functionalities through electrostatic and co-ordination forces. 75-80% of Pb2+ and Cd2+ adsorption at Co: 25 mg/L, either from deionized water or humic acid solution was accomplished within 15 min. The data was fitted to pseudo-second-order kinetic and Langmuir isotherm models, with maximum monolayer adsorption capacities being 323 and 357 mg/g for Cd2+and Pb2+ at 318 K, respectively. Maximum Cd2+ (82.6%) and Pb2+ (78.7%) were eluted with 0.01 M HCl, simultaneously allowing minimum iron leaching (2.73%) from mSBHC-N. In conclusion, the study may provide a novel, economical, and clean route to utilize agro-waste, such as sugarcane bagasse (SB), for aquatic environment remediation.
    Matched MeSH terms: Water/chemistry*
  12. How SW, Chua ASM, Ngoh GC, Nittami T, Curtis TP
    Sci Total Environ, 2019 Nov 25;693:133526.
    PMID: 31376760 DOI: 10.1016/j.scitotenv.2019.07.332
    Many wastewater treatment plants (WWTPs) operating in biological nitrogen removal activated sludge process in the tropics are facing the pressure of increasingly stringent effluent standards while seeking solutions to reduce the plants' energy consumption and operating cost. This study investigated the feasibility of applying low-dissolved oxygen (low-DO) nitrification and utilizing slowly-biodegradable chemical oxygen demand (sbCOD) for denitrification, which helps to reduce energy usage and operating cost in treating low soluble COD-to-nitrogen tropical wastewater. The tropical wastewater was first characterized using wastewater fractionation and respirometry batch tests. Then, a lab-scale sequencing batch reactor (SBR) was operated to evaluate the long-term stability of low-DO nitrification and utilizing sbCOD for denitrification in an anoxic-oxic (AO) process treating tropical wastewater. The wastewater fractionation experiment revealed that particulate settleable solids (PSS) in the wastewater provided slowly-biodegradable COD (sbCOD), which made up the major part (51 ± 10%) of the total COD. The PSS hydrolysis rate constant at tropical temperature (30 °C) was 2.5 times higher than that at 20 °C, suggesting that sbCOD may be utilized for denitrification. During the SBR operation, high nitrification efficiency (93 ± 6%) was attained at low-DO condition (0.9 ± 0.1 mg O2/L). Utilizing sbCOD for post-anoxic denitrification in the SBR reduced the effluent nitrate concentration. Quantitative polymerase chain reaction, 16S rRNA amplicon sequencing and fluorescence in-situ hybridization revealed that the genus Nitrospira was a dominant nitrifier. 16S rRNA amplicon sequencing result suggested that 50% of the Nitrospira-related operational taxonomic units were affiliated with comammox, which may imply that the low-DO condition and the warm wastewater promoted their growth. The nitrogen removal in a tropical AO process was enhanced by incorporating low-DO nitrification and utilizing sbCOD for post-anoxic denitrification, which contributes to an improved energy sustainability of WWTPs.
    Matched MeSH terms: Waste Water/chemistry
  13. Thiruvenkadam S, Izhar S, Hiroyuki Y, Harun R
    Biomed Res Int, 2018;2018:1931634.
    PMID: 30533428 DOI: 10.1155/2018/1931634
    Subcritical water extraction (SCW) was used to extract oil from Chlorella pyrenoidosa. The operational factors such as reaction temperature, reaction time, and biomass loading influence the oil yield during the extraction process. In this study, response surface methodology was employed to identify the desired extraction conditions for maximum oil yield. Experiments were carried out in batch reactors as per central composite design with three independent factors including reaction temperature (170, 220, 270, 320, and 370°C), reaction time (1, 5, 10, 15, and 20 min), and biomass loading (1, 3, 5, 10, and 15%). A maximum oil yield of 12.89 wt.% was obtained at 320°C and 15 min, with 3% biomass loading. Sequential model tests showed the good fit of experimental data to the second-order quadratic model. This study opens the great potential of SCW to extract algal oil for use in algal biofuel production.
    Matched MeSH terms: Water/chemistry*
  14. Ruslan AR, Vadivelu VM
    J Environ Sci (China), 2019 Mar;77:148-155.
    PMID: 30573078 DOI: 10.1016/j.jes.2018.06.023
    The effect of pre-treatment of dewatered sludge using different nitrite concentrations and pH for microbial fuel cell (MFC) application was investigated. The results show that the addition of nitrite was feasible to increase the solubilization rate of the sludge and may reduce mass transfer limitation at the anode. This helped the MFC to reach higher voltage and to generate more power. The higher free nitrous acid (FNA) concentration under the acidic condition helped to increase sludge solubilization. However, under an alkaline condition, during which the FNA concentration was relatively low, the solubilization of the sludge was higher. The highest voltage and power density produced was 390 mV and 153 mW/m2, respectively, with the addition of nitrite at 100 mg-N/L and pH 9. Furthermore, it was found that elevated levels of FNA could inhibit electrogenic bacteria thus reducing power generation.
    Matched MeSH terms: Water/chemistry
  15. Thiagamani SMK, Krishnasamy S, Muthukumar C, Tengsuthiwat J, Nagarajan R, Siengchin S, et al.
    Int J Biol Macromol, 2019 Nov 01;140:637-646.
    PMID: 31437507 DOI: 10.1016/j.ijbiomac.2019.08.166
    This work focuses on the fabrication of hybrid bio-composites using green epoxy as the matrix material, hemp (H) and sisal (S) fibre mats as the reinforcements. The hybrid composite with sisal/hemp fibres were fabricated by cost effective hand lay-up technique, followed by hot press with different stacking sequences. Static properties of the composites such as tensile, compressive, inter-laminar shear strengths (ILSS) and hardness were examined. The physical properties such as density, void content, water absorption and thickness swelling were also analyzed. The experimental results indicate that hybrid composites exhibited minor variation in tensile strength when the stacking sequence was altered. The hybrid composite with the intercalated arrangement (HSHS) exhibited the highest tensile modulus when compared with the other hybrid counterparts. Hybrid composites (SHHS and HSSH) offered 40% higher values of compressive strength than the other layering arrangements. HHHH sample exhibited the highest ILSS value of 4.08 MPa. Typical failure characteristics of the short beam test such as inter-laminar shear cracks in the transverse direction, micro-buckling and fibre rupture were also observed.
    Matched MeSH terms: Water/chemistry
  16. Foo KS, Bavoh CB, Lal B, Mohd Shariff A
    Molecules, 2020 Aug 15;25(16).
    PMID: 32824121 DOI: 10.3390/molecules25163725
    In this study, series of non-ionic surfactants from Span and Tween are evaluated for their ability to affect the viscosity profile of cyclopentane hydrate slurry. The surfactants; Span 20, Span 40, Span 80, Tween 20, Tween 40 and Tween 80 were selected and tested to provide different hydrophilic-hydrophobic balance values and allow evaluation their solubility impact on hydrate formation and growth time. The study was performed by using a HAAKE ViscotesterTM 500 at 2 °C and a surfactant concentration ranging from 0.1 wt%-1 wt%. The solubility characteristic of the non-ionic surfactants changed the hydrate slurry in different ways with surfactants type and varying concentration. The rheological measurement suggested that oil-soluble Span surfactants was generally inhibitive to hydrate formation by extending the hydrate induction time. However, an opposite effect was observed for the Tween surfactants. On the other hand, both Span and Tween demonstrated promoting effect to accelerate hydrate growth time of cyclopentane hydrate formation. The average hydrate crystallization growth time of the blank sample was reduced by 86% and 68% by Tween and Span surfactants at 1 wt%, respectively. The findings in this study are useful to understand the rheological behavior of surfactants in hydrate slurry.
    Matched MeSH terms: Water/chemistry*
  17. Manickam S, Sivakumar K, Pang CH
    Ultrason Sonochem, 2020 Dec;69:105258.
    PMID: 32702637 DOI: 10.1016/j.ultsonch.2020.105258
    O/W nanoemulsions are isotropic colloidal systems constituted of oil droplets dispersed in continuous aqueous media and stabilised by surfactant molecules. Nanoemulsions hold applications in more widespread technological domains, more crucially in the pharmaceutical industry. Innovative nanoemulsion-based drug delivery system has been suggested as a powerful alternative strategy through the useful means of encapsulating, protecting, and delivering the poorly water-soluble bioactive components. Consequently, there is a need to generate an emulsion with small and consistent droplets. Diverse studies acknowledged that ultrasonic cavitation is a feasible and energy-efficient method in making pharmaceutical-grade nanoemulsions. This method offers more notable improvements in terms of stability with a lower Ostwald ripening rate. Meanwhile, a microstructured reactor, for instance, microchannel, has further been realised as an innovative technology that facilitates combinatorial approaches with the acceleration of reaction, analysis, and measurement. The recent breakthrough that has been achieved is the controlled generation of fine and monodispersed multiple emulsions through microstructured reactors. The small inner dimensions of microchannel display properties such as short diffusion paths and high specific interfacial areas, which increase the mass and heat transfer rates. Hence, the combination of ultrasonic cavitation with microstructures (microchannel) provides process intensification of creating a smaller monodispersed nanoemulsion system. This investigation is vital as it will then facilitate the creation of new nanoemulsion based drug delivery system continuously. Following this, the fabrication of microchannel and setup of its combination with ultrasound was conducted in the generation of O/W nanoemulsion, as well as optimisation to analyse the effect of varied operating parameters on the mean droplet diameter and dispersity of the nanoemulsion generated, besides monitoring the stability of the nanoemulsion. Scanning transmission electron microscopy (STEM) images were also carried out for the droplet size measurements. In short, the outcomes of this study are encouraging, which necessitates further investigations to be carried out to advance a better understanding of coupling microchannel with ultrasound to produce pharmaceutical-grade nanoemulsions.
    Matched MeSH terms: Water/chemistry*
  18. Zulkefeli M, Hisamatsu Y, Suzuki A, Miyazawa Y, Shiro M, Aoki S
    Chem Asian J, 2014 Oct;9(10):2831-41.
    PMID: 25080369 DOI: 10.1002/asia.201402513
    In our previous paper, we reported that a dimeric Zn(2+) complex with a 2,2'-bipyridyl linker (Zn2L(1)), cyanuric acid (CA), and a Cu(2+) ion automatically assemble in aqueous solution to form 4:4:4 complex 3, which selectively catalyzes the hydrolysis of mono(4-nitrophenyl)phosphate (MNP) at neutral pH. Herein, we report that the use of barbital (Bar) instead of CA for the self-assembly with Zn2L(1) and Cu(2+) induces 2:2:2 complexation of these components, and not the 4:4:4 complex, to form supramolecular complex 6 a, the structure and equilibrium characteristics of which were studied by analytical and physical measurements. The finding show that 6 a also accelerates the hydrolysis of MNP, similarly to 3. Moreover, inspired by the crystal structure of 6 a, we prepared barbital units that contain functional groups on their side chains in an attempt to produce supramolecular phosphatases that possess functional groups near the Cu2(μ-OH)2 catalytic core so as to mimic the catalytic center of alkaline phosphatase (AP).
    Matched MeSH terms: Water/chemistry
  19. Her Choong F, Keat Yap B
    Chemphyschem, 2021 03 03;22(5):493-498.
    PMID: 33377300 DOI: 10.1002/cphc.202000873
    Cell-penetrating peptides are used in the delivery of peptides and biologics, with some cell-penetrating peptides found to be more efficient than others. The exact mechanism of how they interact with the cell membrane and penetrate it, however, remains unclear. This study attempts to investigate the difference in free energy profiles of three cell-penetrating peptides (TAT, CPP1 and CPP9) with a model lipid bilayer (DOPC) using molecular dynamics pulling simulations with umbrella sampling. Potential mean force (PMF) and free energy barrier between the peptides and DOPC are determined using WHAM analysis and MM-PBSA analysis, respectively. CPP9 is found to have the smallest PMF value, followed by CPP1 and TAT, consistent with the experimental data. YDEGE peptide, however, does not give the highest PMF value, although it is a non-cell-permeable peptide. YDEGE is also found to form water pores, alongside with TAT and CPP9, suggesting that it is difficult to distinguish true water pore formation from artefacts arising from pulling simulations. On the contrary, free energy analysis of the peptide-DOPC complex at the lipid-water interface with MM-PBSA provides results consistent with experimental data with CPP9 having the least interaction with DOPC and lowest free energy barrier, followed by CPP1, TAT and YDEGE. These findings suggest that peptide-lipid interaction at the lipid-water interface has a direct correlation with the penetration efficiency of peptides across the lipid bilayer.
    Matched MeSH terms: Water/chemistry
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