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ACS Omega 2021 Jan 14;6(3):2127-2142. Epub 2021 Jan 14.

PetroChina, Research Institute of Petroleum Exploration & Development, Beijing 100083, China.

The Permian Lucaogou Formation of the Jimsar Sag in the Junggar Basin, NW China, is one of the largest areas of oil exploration and exploitation in the lacustrine shale sequence in China. Oil is commercially extracted from this markedly heterogeneous formation, which is characterized by frequently interbedded shale and tight reservoirs, although producible intervals within the Lucaogou Formation remain unresolved. This study focused on the Jimsar Sag reservoirs to investigate petrological and mineralogical characteristics, source rock and reservoir physical properties, and the molecular biogeochemistry of core extracts and crude oils. Read More

J Phys Chem B 2020 09 21;124(35):7611-7624. Epub 2020 Aug 21.

School of Chemistry, University of Glasgow, Glasgow G12 8QQ, United Kingdom.

Molecular liquids have long been known to undergo various distinct intermolecular motions, from fast librations and cage-rattling oscillations to slow orientational and translational diffusion. However, their resultant gigahertz to terahertz spectra are far from simple, appearing as broad shapeless bands that span many orders of magnitude of frequency, making meaningful interpretation troublesome. spectral line shape fitting has become a notoriously fine art in the field; a unified approach to handling such spectra is long overdue. Read More

Sci Total Environ 2019 Sep 16;682:447-456. Epub 2019 May 16.

Department of Environmental Engineering, Federal University of Parana, Curitiba 81531-980, Brazil.

Erosive processes can transport sediments containing nutrients, heavy metals and contaminants of organic and inorganic origin into bodies of water, therefore affecting the local ecosystem and the population that benefits from the water sources. In order to better understand the origin of sediment sources and establish mitigation measures, the use of the sediment fingerprinting technique has been highlighted. Thus, the present work had as objective to apply n-alkanes in order to trace and understand the main sources of organic matter in sediments and associate the results with land and soil occupation. Read More

J Chem Phys 2018 Apr;148(16):164703

Institute of Thermodynamics and Thermal Process Engineering, University of Stuttgart, Pfaffenwaldring 9, 70569 Stuttgart, Germany.

The curvature dependence of interfacial properties has been discussed extensively over the last decades. After Tolman published his work on the effect of droplet size on surface tension, where he introduced the interfacial property now known as Tolman length, several studies were performed with varying results. In recent years, however, some consensus has been reached about the sign and magnitude of the Tolman length of simple model fluids. Read More

Sci Rep 2018 03 2;8(1):3967. Epub 2018 Mar 2.

Center for Integrative Geosciences, University of Connecticut, Storrs, Mansfield, CT, 06269, USA.

Estimates of atmospheric moisture are critical for understanding the links and feedbacks between atmospheric CO and global climate. At present, there are few quantitative moisture proxies that are applicable to deep time. We present a new proxy for atmospheric moisture derived from modern climate and leaf biomarker data from North and Central America. Read More

BMC Genomics 2017 04 28;18(1):334. Epub 2017 Apr 28.

Biosciences and Biotechnology Division, Physical and Life Sciences Directorate, Lawrence Livermore National Laboratory, Livermore, CA, 94550, USA.

Background: Examination of complex biological systems has long been achieved through methodical investigation of the system's individual components. While informative, this strategy often leads to inappropriate conclusions about the system as a whole. With the advent of high-throughput "omic" technologies, however, researchers can now simultaneously analyze an entire system at the level of molecule (DNA, RNA, protein, metabolite) and process (transcription, translation, enzyme catalysis). Read More

J Chem Phys 2015 Apr;142(15):154112

École Normale Supérieure - PSL Research University, Département de Chimie, Sorbonne Universités - UPMC Univ. Paris 06, CNRS UMR 8640 PASTEUR, 24 rue Lhomond, 75005 Paris, France.

The solvation of hydrophobic solutes in water is special because liquid and gas are almost at coexistence. In the common hypernetted chain approximation to integral equations, or equivalently in the homogenous reference fluid of molecular density functional theory, coexistence is not taken into account. Hydration structures and energies of nanometer-scale hydrophobic solutes are thus incorrect. Read More

Environ Sci Technol 2014 Apr 19;48(7):3698-706. Epub 2014 Mar 19.

Department of Environmental Science, Policy and Management, University of California , Berkeley, California 94720, United States.

Motor vehicles are major sources of primary organic aerosol (POA), which is a mixture of a large number of organic compounds that have not been comprehensively characterized. In this work, we apply a recently developed gas chromatography mass spectrometry approach utilizing "soft" vacuum ultraviolet photoionization to achieve unprecedented chemical characterization of motor vehicle POA emissions in a roadway tunnel with a mass closure of >60%. The observed POA was characterized by number of carbon atoms (NC), number of double bond equivalents (NDBE) and degree of molecular branching. Read More

J Phys Chem B 2014 Mar 13;118(12):3451-60. Epub 2014 Mar 13.

ICS-Soft Condensed Matter, Forschungszentrum Jülich GmbH , D-52428 Jülich, Germany.

In this work we investigate the thermodiffusion behavior of microemulsion droplets of the type H2O/n-alkane/C12E5 (pentaethylene glycol monododecyl ether) using the n-alkanes: n-octane, n-decane, n-dodecane, and n-tetradecane. In order to determine the thermodiffusion behavior of these microemulsion droplets, we apply the infrared thermal diffusion forced Rayleigh scattering (IR-TDFRS) technique. We measure the Soret coefficient (ST) as function of the structure upon approaching the emulsification failure boundary (efb) and as a function of the radius of the spherical o/w microemulsion droplets close to the efb. Read More

J Phys Chem B 2008 Aug 16;112(31):9417-27. Epub 2008 Jul 16.

Department of Chemical Engineering, Vanderbilt University, Nashville, TN 37235, USA.

A statistical associating fluid theory for potential of variable range has been recently developed to model dipolar fluids (SAFT-VR+D) [Zhao and McCabe, J. Chem. Phys. Read More

J Chromatogr B Analyt Technol Biomed Life Sci 2008 Aug 8;871(2):182-90. Epub 2008 May 8.

Max Planck Institute of Molecular Plant Physiology, Department Prof. L. Willmitzer, Am Muehlenberg 1, D-14476 Potsdam-Golm, Germany.

The generation of retention index (RI) libraries is an expensive and time-consuming effort. Procedures for the transfer of RI properties between chromatography variants are, therefore, highly relevant for a shared use. The precision of RI determination and accuracy of RI transfer between 8 method variants employing 5%-phenyl-95%-dimethylpolysiloxane capillary columns was investigated using a series of 9 n-alkanes (C(10)-C(36)). Read More

Sci Total Environ 2007 Nov 27;386(1-3):83-92. Epub 2007 Jun 27.

Environmental Chemistry Division, National Institute for Environmental Studies, 16-2 Onogawa, Tsukuba 305-8506, Japan.

Atmospheric nanoparticles (<0.050 microm) have caused great concern recently due to their potential to affect human health. However, little is known about the chemical composition, sources, and atmospheric behavior of atmospheric nanoparticles. Read More

J Phys Chem B 2006 Nov;110(47):23968-76

Department of Physical, Chemical, and Natural Systems, University Pablo de Olavide, Ctra. Utrera km 1, 41013 Sevilla, Spain.

Recent adsorption isotherms of n-alkanes on Ca,Na-LTA-type zeolite afford development of a force field describing the interactions between calcium and n-alkanes in configurational-bias Monte Carlo simulations. The force field of Calero et al. (J. Read More

Anesth Analg 1994 Dec;79(6):1049-55

Department of Anesthesia, University of California, San Francisco 94143-0464.

Neither lipophilicity nor vapor pressure of larger n-alkanes appear to correlate with their anesthetizing partial pressures in inspired gas. Such results suggest that the Meyer-Overton hypothesis and Ferguson's rule may not apply to these compounds. An alternative explanation might be that a large difference in inspired-to-arterial partial pressure exists, i. Read More