Interpretasi Lingkungan Pengendapan Formasi Talang Akar Berdasarkan Data Cutting dan Wireline Log pada Lapangan X Cekungan Sumatera Selatan

A sedimentary environment is a part of earth\u27s surface which is physically, chemically and biologically distinct from adjacent terrains (Selley, 1988). The study of the depositional environment is one goal of many studiesconducted for academic purpose and economically purpose in oil and gas exploration. The study of the depositionalenvironment requires a fairly comprehensive analysis as to sequencestratigraphy facies analysis to obtain detailedinterpretations or conclusions. The purpose of this study is to analyze cutting and wireline logs to determinelithology, facies and sedimentation history of theTalang Akar formation field X in South Sumatra basin. The method used to analyze the formation of depositional environment of Talang Akar field X in SouthSumatra basin is the cutting description in order to know the composition of the constituent formations. While theanalysis conducted is cutting analysis to get lithofacies interpretation, second is well log analysis method to getsubsurface data such as physical rock properties then electrofacies analysis based on gamma ray log pattern andthird is stratigraphy sequence analysis method so sea level changed can be known. Stratigraphy sequenceinterpretation did base on facies and gamma ray log pattern changed. Pratama-1 well lithology consists of shale, siltstone, very fine sandstone until medium sandstone andlimestones. While the well lithology Pratama-2 is composed of shale, very fine until medium sandstone and siltstone.Facies found in wells Pratama-1 consists of distributary channel fill, prodelta, distal bar, distributary mouth bar,and marsh. Facies in wells Pratama-2 is a mud flat and mixed flat. In Pratama-1 wells are 2 sets sequence that bounded by 2 sequence boundary, with a stratigraphic unit LST, TST and HST with progradation andretrogradation stacking patterns. While the Pratama-2 wells contained one stratigraphic unit sequence that is onlyTST in progradation and agradation stacking patterns. Based on this analysis the Talang Akar formation field X inSouth Sumatra basin has a transitional depositional environment

Attachment of Pathogenic Prion Protein to Model Oxide Surfaces

Prions are the infectious agents in the class of fatal neurodegenerative diseases known as transmissible spongiform encephalopathies, which affect humans, deer, sheep, and cattle. Prion diseases of deer and sheep can be transmitted via environmental routes, and soil is has been implicated in the transmission of these diseases. Interaction with soil particles is expected to govern the transport, bioavailability and persistence of prions in soil environments. A mechanistic understanding of prion interaction with soil components is critical for understanding the behavior of these proteins in the environment. Here, we report results of a study to investigate the interactions of prions with model oxide surfaces (Al₂O₃, SiO₂) using quartz crystal microbalance with dissipation monitoring and optical waveguide light mode spectroscopy. The efficiency of prion attachment to Al₂O₃ and SiO₂ depended strongly on pH and ionic strength in a manner consistent with electrostatic forces dominating interaction with these oxides. The presence of the N-terminal portion of the protein appeared to promote attachment to Al₂O₃ under globally electrostatically repulsive conditions. We evaluated the utility of recombinant prion protein as a surrogate for prions in attachment experiments and found that its behavior differed markedly from that of the infectious agent. Our findings suggest that prions would tend to associate with positively charged mineral surfaces in soils (e.g., iron and aluminum oxides)

Clarithromycin and Tetracycline Binding to Soil Humic Acid in the Absence and Presence of Calcium

Numerous ionizable organic micropollutants contain positively charged moieties at pH values typical of environmental systems. Describing organic cation and zwitterion interaction with dissolved natural organic matter requires explicit consideration of the pH-dependent speciation of both sorbate and sorbent. We studied the pH-, ionic strength-, and concentration-dependent binding of relatively large, organic cations and zwitterions (viz., the antibiotics clarithromycin and tetracycline) to dissolved humic acid in the absence and presence of Ca²⁺ and evaluated the ability of the NICA-Donnan model to describe the data. Clarithromycin interaction with dissolved humic acid was well described by the model including the competitive effect of Ca²⁺ on clarithromycin binding over a wide range of solution conditions by considering only the binding of the cationic species to low proton-affinity sites in humic acid. Tetracycline possesses multiple ionizable moieties and forms complexes with Ca²⁺. An excellent fit to experimental data was achieved by considering tetracycline cation interaction with both low and high proton-affinity sites of humic acid and zwitterion interaction with high proton-affinity sites. In contrast to clarithromycin, tetracycline binding to humic acid increased in the presence of Ca²⁺, especially under alkaline conditions. Model calculations indicate that this increase is due to electrostatic interaction of positively charged tetracycline-Ca complexes with humic acid rather than due to the formation of ternary complexes, except at very low TC concentrations

A Hybrid Molecular Dynamics/Multiconformer Continuum Electrostatics (MD/MCCE) Approach for the Determination of Surface Charge of Nanomaterials

The surface charge of nanomaterials determines their stability in solution and interaction with other molecules and surfaces, yet experimental determination of surface charge of complex nanomaterials is not straightforward. We propose a hybrid approach that iteratively integrates explicit solvent molecular dynamics simulations and a multiconformer continuum electrostatic model (MCCE) to efficiently sample the configurational and titration spaces of surface ligands of nanomaterials. Test calculations of model systems indicate that the iterative approach converges rapidly even for systems that contain hundreds of titratable sites, making the approach complementary to more elaborate methods such as explicit solvent-based constant-pH molecular dynamics. The hybrid method is applied to analyze the p<i>K</i>_a distribution of alkylamines attached to a carbon-based nanoparticle as a function of ligand density, nanoparticle surface curvature, and ligand heterogeneity. The results indicate that functionalization strategies can modulate the p<i>K</i>_a of surface ligands and therefore charge properties of nanomaterials (e.g., surface charge, charge capacitance). The hybrid computational approach makes a major step toward guiding the design of nanomaterials with desired charge properties

Integrated Hamiltonian Sampling: A Simple and Versatile Method for Free Energy Simulations and Conformational Sampling

Motivated by specific applications and the recent work of Gao and co-workers on integrated tempering sampling (ITS), we have developed a novel sampling approach referred to as integrated Hamiltonian sampling (IHS). IHS is straightforward to implement and complementary to existing methods for free energy simulation and enhanced configurational sampling. The method carries out sampling using an effective Hamiltonian constructed by integrating the Boltzmann distributions of a series of Hamiltonians. By judiciously selecting the weights of the different Hamiltonians, one achieves rapid transitions among the energy landscapes that underlie different Hamiltonians and therefore an efficient sampling of important regions of the conformational space. Along this line, IHS shares similar motivations as the enveloping distribution sampling (EDS) approach of van Gunsteren and co-workers, although the ways that distributions of different Hamiltonians are integrated are rather different in IHS and EDS. Specifically, we report efficient ways for determining the weights using a combination of histogram flattening and weighted histogram analysis approaches, which make it straightforward to include many end-state and intermediate Hamiltonians in IHS so as to enhance its flexibility. Using several relatively simple condensed phase examples, we illustrate the implementation and application of IHS as well as potential developments for the near future. The relation of IHS to several related sampling methods such as Hamiltonian replica exchange molecular dynamics and λ-dynamics is also briefly discussed

Dynamics and Morphology of Nanoparticle-Linked Polymers Elucidated by Nuclear Magnetic Resonance

Nanoparticles are frequently modified with polymer layers to control their physical and chemical properties, but little is understood about the morphology and dynamics of these polymer layers. We report here an NMR-based investigation of a model polymer-modified nanoparticle, using multiple NMR techniques including ¹H NMR, diffusion-ordered spectroscopy (DOSY), total correlation spectroscopy (TOCSY), and <i>T</i>₂ relaxometry to characterize the dynamics of the nanoparticle–polymer interface. Using 5 nm detonation nanodiamond covalently linked to poly­(allylamine) hydrochloride as a model system, we demonstrate the use of NMR to distinguish between free and bound polymer and to characterize the degree to which the segments of the nanoparticle-wrapping polymer are mobile (loops and tails) versus immobile (trains). Our results show that the polymer-wrapped nanoparticle contains a large fraction of highly mobile polymer segments, implying that the polymer extends well into solution away from the nanoparticle surface. Flexible, distal polymer segments are likely to be more accessible to extended objects such as cell membranes, compared with polymer segments that are in close proximity to the nanoparticle surface. Thus, these flexible segments may be particularly important in controlling subsequent interactions of the nanoparticles. While reported here for a model system, the methodology used demonstrates how NMR methods can provide important insights into the structure and dynamics at nanoparticle–polymer interfaces, leading to new perspectives on the behavior and interactions of polymer-functionalized nanoparticles in aqueous systems

Root Uptake of Pharmaceuticals and Personal Care Product Ingredients

Crops irrigated with reclaimed wastewater or grown in biosolids-amended soils may take up pharmaceuticals and personal care product ingredients (PPCPs) through their roots. The uptake pathways followed by PPCPs and the propensity for these compounds to bioaccumulate in food crops are still not well understood. In this critical review, we discuss processes expected to influence root uptake of PPCPs, evaluate current literature on uptake of PPCPs, assess models for predicting plant uptake of these compounds, and provide recommendations for future research, highlighting processes warranting study that hold promise for improving mechanistic understanding of plant uptake of PPCPs. We find that many processes that are expected to influence PPCP uptake and accumulation have received little study, particularly rhizosphere interactions, in planta transformations, and physicochemical properties beyond lipophilicity (as measured by <i>K</i>_ow). Data gaps and discrepancies in methodology and reporting have so far hindered development of models that accurately predict plant uptake of PPCPs. Topics warranting investigation in future research include the influence of rhizosphere processes on uptake, determining mechanisms of uptake and accumulation, in planta transformations, the effects of PPCPs on plants, and the development of predictive models

Plant-Induced Changes to Rhizosphere pH Impact Leaf Accumulation of Lamotrigine but Not Carbamazepine

Many ionizable organic contaminants (IOCs) are present in treated wastewater used to irrigate edible crops and accumulate in plants under field conditions. Phytoavailability of IOCs with p<i>K</i>_a values between 4 and 9 may be affected by the pH of the rhizosphere (the water and soil within 2–3 mm of the root surface). Plants can alter rhizosphere pH by 2–3 units in either direction in response to nutrient availability. The effects of plant modulation of rhizosphere pH on IOC accumulation have not been previously reported. Here we provide direct evidence that plant-driven changes in rhizosphere pH impact accumulation of an IOC in plant leaves. Using a modified hydroponic system, we found that rhizosphere pH was higher by 1.5–2.4 units when plants received only nitrate rather than a combination of nitrate and ammonium. Plant-driven changes to rhizosphere pH altered accumulation of lamotrigine (p<i>K</i>_a = 5.7) but not carbamazepine, a non-ionizable contaminant. Lamotrigine accumulation in leaves correlated strongly with the concentration of the neutral species available in porewater. We expect plant-driven changes in rhizosphere pH to be important across a wide range of plant species and IOCs. Consideration of plant modulation of rhizosphere pH may be necessary to accurately predict IOC bioaccumulation

Mineral licks as environmental reservoirs of chronic wasting disease prions

<div><p>Chronic wasting disease (CWD) is a fatal neurodegenerative disease of deer, elk, moose, and reindeer (cervids) caused by misfolded prion proteins. The disease has been reported across North America and recently discovered in northern Europe. Transmission of CWD in wild cervid populations can occur through environmental routes, but limited ability to detect prions in environmental samples has prevented the identification of potential transmission “hot spots”. We establish widespread CWD prion contamination of mineral licks used by free-ranging cervids in an enzootic area in Wisconsin, USA. We show mineral licks can serve as reservoirs of CWD prions and thus facilitate disease transmission. Furthermore, mineral licks attract livestock and other wildlife that also obtain mineral nutrients via soil and water consumption. Exposure to CWD prions at mineral licks provides potential for cross-species transmission to wildlife, domestic animals, and humans. Managing deer use of mineral licks warrants further consideration to help control outbreaks of CWD.</p></div

Adsorption of Insecticidal Cry1Ab Protein to Humic Substances. 2. Influence of Humic and Fulvic Acid Charge and Polarity Characteristics

Assessing the fate and potential risks of transgenic Cry proteins in soils requires understanding of Cry protein adsorption to soil particles. The companion paper provided evidence that patch-controlled electrostatic attraction (PCEA) and the hydrophobic effect contributed to Cry1Ab protein adsorption to an apolar humic acid (HA). Here, we further assess the relative importance of these contributions by comparing Cry1Ab adsorption to seven humic substances varying in polarity and charge, at different solution pH and ionic strength, <i>I</i>. Cry1Ab adsorption to relatively apolar HAs at <i>I</i> = 50 mM exhibited rapid initial rates, was extensive, and was only partially reversible at pH 5–8, whereas adsorption to more polar fulvic acids was weak and reversible or absent at pH >6. The decrease in adsorption with increasing HS polarity at all tested pH strongly supports a large contribution from the hydrophobic effect to adsorption, particularly at <i>I</i> = 50 mM when PCEA was effectively screened. Using insect bioassays, we further show that Cry1Ab adsorbed to a selected HA retained full insecticidal activity. Our results highlight the need to consider adsorption to soil organic matter in models that assess the fate of Cry proteins in soils