Search Our Scientific Publications & Authors

Horm Metab Res 2018 Dec 6. Epub 2018 Dec 6.

Department of Endocrinology and Internal Medicine, Aarhus University Hospital, Aarhus, Denmark.

Cross-sectional studies in small and selected populations report a high prevalence of hypercortisolism in patients with type 2 diabetes (T2D), which could have therapeutic implications, if confirmed. We therefore estimated the prevalence of hypercortisolism in a large and unselected cohort of recently diagnosed T2D patients. Consecutive patients with recently diagnosed T2D first underwent an overnight dexamethasone (1 mg) suppression test (OD). Read More

Horm Metab Res 2018 Dec 6. Epub 2018 Dec 6.

Department of Clinical Biochemistry, Saolta University Health Care Group (SUHCG), Galway University Hospitals, Galway, Ireland.

The aldosterone to renin ratio (ARR) is recommended for case detection of primary aldosteronism (PA). Several factors including medications can undermine its diagnostic accuracy. The objective was to explore the effect of Sodium Glucose Co-Transporter-2 Inhibition on the ARR in patients with type 2 diabetes mellitus (T2DM) who were prescribed a Sodium Glucose Co-Transporter-2 Inhibitor (SGLT-2i) as part of routine clinical care. Read More

Cell Physiol Biochem 2018 Dec 6;51(5):2136-2147. Epub 2018 Dec 6.

Background/aims: Long non-coding RNAs (lncRNAs) play vital roles in carcinogenesis as oncogenes or tumor suppressor genes. This study explored the biological function of lncRNA gastric adenocarcinoma predictive long intergenic non-coding RNA (GAPLINC) in human non-small cell lung cancer (NSCLC).

Methods: GAPLINC expression in NSCLC specimens and cell lines was detected by qRT-PCR and Western blot. Read More

Cell Physiol Biochem 2018 Dec 6;51(5):2160-2171. Epub 2018 Dec 6.

Background/aims: KRas is usually mutated in non-small cell lung cancer (NSCLC). The mutated KRas gene is a negative prognostic indicator that promotes tumor proliferation, metastasis, and drug resistance in NSCLC, and thus has become a target for cancer therapy. This study is focused on the effects of the microRNA (miR)-202/KRas axis in regulating chemosensitivity in NSCLC. Read More

Addict Behav 2018 Nov 27;90:354-361. Epub 2018 Nov 27.

Medical University of South Carolina, Department of Psychiatry and Behavioral Sciences, Charleston, SC, USA.

Cannabis and tobacco co-use is prevalent, but consensus regarding the reasons for co-use among adults and the degree of interrelatedness between these substances is lacking. Reasons for co-use have been explored with younger users, but little data exists for more experienced users with entrenched patterns of co-use. The goal of this study was to examine characteristics and patterns of cannabis-tobacco co-use among adults in the Southeastern United States (US), where there is a legal landscape of generally restrictive cannabis legislation coupled with more permissive tobacco control compared to other US regions. Read More

Eur J Med Chem 2018 Nov 28;163:215-242. Epub 2018 Nov 28.

Jiangsu Key Laboratory of Drug Design and Optimization, Department of Medicinal Chemistry, China Pharmaceutical University, 24 Tongjiaxiang, Nanjing 210009, PR China. Electronic address:

Cancer cells have been confirmed diverge significantly from normal cells on the metabolic properties. Energy production in cancer cells is abnormally dependent on the glycolysis pathway and other atypical metabolic characteristics such as increased fatty acid synthesis and increased rates of glutamine metabolism. Among these metabolic features of cancers, glutamine metabolism has been reported to be the main energy supply for the growth and viability of a potentially large subset of malignant tumors. Read More

Clin Neurol Neurosurg 2018 Dec 1;176:47-52. Epub 2018 Dec 1.

Department of Neurosurgery, Rigshospitalet, Blegdamsvej 9, 2100, Copenhagen, Denmark.

Objectives: Suboccipital decompressive craniectomy (SDC) is considered the best treatment option in patients with space-occupying cerebellar infarction and clinical signs of deterioration. The primary purpose of this study was to evaluate long-term functional outcome in patients one year after SDC for space-occupying cerebellar infarction, and secondly, to determine factors associated with outcome.

Patients And Methods: All patients treated with SDC due to space-occupying cerebellar infarction between January 2009 and October 2015 were included in the study. Read More

Sci Total Environ 2018 Nov 26;656:447-457. Epub 2018 Nov 26.

Collaborative Innovation Center of Atmospheric Environment and Equipment Technology, Nanjing University of Information Science & Technology, Nanjing 210044, China. Electronic address:

In this work, we present on-line fluorescent aerosol measurements by the wideband integrated bioaerosol spectrometer (WIBS-4A) near an industrial zone in Nanjing, a megacity in the Yangtze-River-Delta (YRD) region. The fieldwork was conducted from April 1 to May 8, 2014. A TSI. Read More

Biomed Pharmacother 2018 Dec 3;110:312-318. Epub 2018 Dec 3.

Surgical Oncology Research Center, Mashhad University of Medical Sciences, Mashhad, Iran. Electronic address:

Colorectal cancer (CRC), as a prominent cause of cancer-related deaths, has historically been notable worldwide and many attempts have been made to raise the overall survival of CRC patients. Immune response has long been a question of great interest in a wide range of fields such as cancer therapies and anti-tumor immunity through checkpoint inhibitors, specifically anti PD-1/ PD-L1 interaction, is a new line of research for treatment of CRC patients. Following the successful development of anti-PD-1 for melanoma, renal cell carcinoma, and non-small cell lung cancer, several clinical trials have been conducted on monoclonal antibodies (MAbs) against PD-1 in CRC. Read More

Biomed Pharmacother 2018 Dec 3;110:294-301. Epub 2018 Dec 3.

Department of breast surgery, The first affiliated hospital of Zhengzhou University, Zhengzhou City, Henan Province, China.

The long non-coding RNA (lncRNA) has recently been shown to be important regulators involved in the progression of various human cancers. Small nucleolar RNA host gene 6 (SNHG6) is a recently identified cancer-related lncRNA. However, the clinical significance and biological function of SNHG6 in breast cancer (BC) are still unclear. Read More

Neuroscience 2018 Dec 3. Epub 2018 Dec 3.

Department of Biomedical Sciences, College of Life and Health Sciences, Chubu University, Kasugai 487-8501, Japan; Department of Biochemistry II, Nagoya University Graduate School of Medicine, Nagoya 466-0065, Japan. Electronic address:

B4GALNT1 is an enzyme essential for the synthesis of complex gangliosides, whose absence leads to progressive neurodegeneration with aging in mice. Recently, eleven cases of hereditary spastic paraplegia with mutation in the coding region of B4GALNT1 were reported. However, changes in the enzymatic activity of their products have never been studied. Read More

J Thorac Oncol 2018 Dec 3. Epub 2018 Dec 3.

Tokyo Medical University Hospital, 6-7-1 Nishishinjuku, Shinjuku-ku, Tokyo 160-0023, Japan.

Introduction: The study objective was to determine the incidence and characteristics of drug-induced interstitial lung disease (ILD) associated with an orally available small-molecule tyrosine kinase inhibitor, crizotinib in the real-world clinical setting.

Methods: Post-marketing surveillance was performed in Japan to obtain information on the safety and efficacy of crizotinib. Target patients included all patients with anaplastic lymphoma kinase-positive non-small cell lung cancer (NSCLC) who received crizotinib, during the enrollment period between May 2012 and December 2014. Read More

J Thorac Oncol 2018 Dec 3. Epub 2018 Dec 3.

Department of Internal Medicine, National Taiwan University Hospital, Taiwan. Electronic address:

Introduction: Approximately 5% of patients with EGFR-activating mutations acquire EGFR-TKIs resistance through SCLC transformation. However, the reason for the poor outcome and the molecular basis of EGFR-mutant SCLC that has transformed from adenocarcinoma remain unclear.

Methods: In this study, we established 2 EGFR-mutant SCLC cell lines from lung adenocarcinoma patients after failed EGFR-TKI treatment to investigate their molecular basis and potential therapeutic strategies in the hope of improving patient outcome. Read More

J Thorac Oncol 2018 Dec 3. Epub 2018 Dec 3.

Guangdong Lung Cancer Institute, Guangdong General Hospital & Guangdong Academy of Medical Sciences, Guangzhou, China. Electronic address:

Introduction: Adjuvant gefitinib therapy prolonged disease-free survival (DFS) in patients with resected early-stage epidermal growth factor receptor (EGFR)-mutation positive non-small cell lung cancer (NSCLC) in the ADJUVANT study (CTONG 1104). However, treatment failure patterns after gefitinib therapy are less well characterized.

Methods: Overall, 222 stage N1-N2, EGFR-mutant NSCLC patients received gefitinib or vinorelbine plus cisplatin (VP) treatment. Read More

Heart Rhythm 2018 Nov 19. Epub 2018 Nov 19.

Section of Cardiac Pacing and Electrophysiology, Heart and Vascular Institute, Cleveland Clinic Foundation, Cleveland, OH. Electronic address:

Background: The Watchman™ device (Boston Scientific, MN), used for left atrial appendage closure (LAAC) was approved for stroke prevention in patients with atrial fibrillation (AF) and an appropriate rationale to avoid long-term oral anticoagulation. Patients with AF and prior intracranial hemorrhage (ICH) were excluded from clinical trials due to perceived risks of peri-operative anticoagulation.

Objective: We studied the efficacy and safety of LAAC using Watchman™ in patients with AF and prior ICH. Read More

Pharmacol Ther 2018 Dec 3. Epub 2018 Dec 3.

Department of Biochemistry & Molecular Medicine, UC Davis School of Medicine, Sacramento, CA 95817, USA.

Small-molecule and protein/antibody drugs mainly act on genome-derived proteins to exert pharmacological effects. RNA based therapies hold the promise to expand the range of druggable targets from proteins to RNAs and the genome, as evidenced by several RNA drugs approved for clinical practice and many others under active trials. While chemo-engineered RNA mimics have found their success in marketed drugs and continue dominating basic research and drug development, these molecules are usually conjugated with extensive and various modifications. Read More

Gastroenterology 2018 Dec 3. Epub 2018 Dec 3.

Department of Molecular and Integrative Physiology, University of Illinois at Urbana-Champaign, Urbana, IL 61801. Electronic address:

Background & Aims: The nuclear receptor subfamily 0 group B member 2 (NR0B2, also called SHP) is expressed at high levels in liver and intestine. Postprandial fibroblast growth factor 19 (human FGF19, mouse FGF15) signaling increases the transcriptional activity of SHP. We studied the functions of SHP and FGF19 in intestines of mice, including their regulation of expression of the cholesterol transporter NPC1-like intracellular cholesterol transporter 1 (NPC1L1) and cholesterol absorption. Read More

Am J Respir Crit Care Med 2018 Dec 6. Epub 2018 Dec 6.

The State Key Laboratory of Respiratory Disease, Guangzhou Institute of Respiratory Disease, The First Affiliated Hospital of Guangzhou Medical University, Guangzhou, China, Critical Care Medicine, Guangzhou, Guangdong, China.

Rationale: There are controversial reports on applications of mesenchymal stromal cells (MSCs) in patients with acute respiratory distress syndrome (ARDS).

Objective: We hypothesized that lung microenvironment was the main determinant of beneficial versus detrimental effects of MSCs during ARDS.

Methods: Lung proteome was profiled in three models of injury induced by acid instillation and/or mechanical ventilation in mice. Read More

ChemMedChem 2018 Dec 6. Epub 2018 Dec 6.

SWITZERLAND.

Bruton's tyrosine kinase (Btk) is an attractive target for the treatment of a wide array of B-cell malignancies and autoimmune diseases. Small molecule covalent irreversible Btk inhibitors targeting Cys481 have been developed for the treatment of the aforementioned diseases. In clinical trials, probe molecules are required in occupancy studies to measure the level of engagement of the Btk protein by these Btk covalent irreversible inhibitors. Read More

Cochrane Database Syst Rev 2018 Dec 3;12:CD012624. Epub 2018 Dec 3.

Department of Surgery and Anaesthesia, Division of Medical Sciences and Graduate Entry Medicine, School of Medicine, University of Nottingham, Uttoxeter New Road, Derby, UK, DE22 3DT.

Background: Postoperative pain is a common consequence of surgery and can have deleterious effects. It has been suggested that the administration of opioid analgesia before a painful stimulus may improve pain control. This can be done in two ways. Read More

Cochrane Database Syst Rev 2018 Dec 3;12:CD013189. Epub 2018 Dec 3.

Institute of Applied Health Research, University of Birmingham, Edgbaston Campus, Birmingham, UK, B15 2TT.

Background: Early accurate detection of all skin cancer types is essential to guide appropriate management and to improve morbidity and survival. Melanoma and squamous cell carcinoma (SCC) are high-risk skin cancers, which have the potential to metastasise and ultimately lead to death, whereas basal cell carcinoma (BCC) is usually localised, with potential to infiltrate and damage surrounding tissue. Anxiety around missing early cases needs to be balanced against inappropriate referral and unnecessary excision of benign lesions. Read More

Cochrane Database Syst Rev 2018 Dec 3;12:CD013187. Epub 2018 Dec 3.

Institute of Applied Health Research, University of Birmingham, Edgbaston Campus, Birmingham, UK, B15 2TT.

Background: Early accurate detection of all skin cancer types is essential to guide appropriate management, reduce morbidity and improve survival. Basal cell carcinoma (BCC) is usually localised to the skin but has potential to infiltrate and damage surrounding tissue, while cutaneous squamous cell carcinoma (cSCC) and melanoma have a much higher potential to metastasise and ultimately lead to death. Exfoliative cytology is a non-invasive test that uses the Tzanck smear technique to identify disease by examining the structure of cells obtained from scraped samples. Read More

Cochrane Database Syst Rev 2018 Dec 3;12:CD013193. Epub 2018 Dec 3.

Institute of Applied Health Research, University of Birmingham, Birmingham, UK, B15 2TT.

Background: Early accurate detection of all skin cancer types is essential to guide appropriate management and to improve morbidity and survival. Melanoma and squamous cell carcinoma (SCC) are high-risk skin cancers which have the potential to metastasise and ultimately lead to death, whereas basal cell carcinoma (BCC) is usually localised with potential to infiltrate and damage surrounding tissue. Anxiety around missing early curable cases needs to be balanced against inappropriate referral and unnecessary excision of benign lesions. Read More

Cochrane Database Syst Rev 2018 Dec 3;12:CD013192. Epub 2018 Dec 3.

Institute of Applied Health Research, University of Birmingham, Birmingham, UK, B15 2TT.

Background: Melanoma accounts for a small proportion of all skin cancer cases but is responsible for most skin cancer-related deaths. Early detection and treatment can improve survival. Smartphone applications are readily accessible and potentially offer an instant risk assessment of the likelihood of malignancy so that the right people seek further medical attention from a clinician for more detailed assessment of the lesion. Read More

Cochrane Database Syst Rev 2018 Dec 3;12:CD013194. Epub 2018 Dec 3.

Institute of Applied Health Research, University of Birmingham, Birmingham, UK, B15 2TT.

Background: Melanoma has one of the fastest rising incidence rates of any cancer. It accounts for a small percentage of skin cancer cases but is responsible for the majority of skin cancer deaths. History-taking and visual inspection of a suspicious lesion by a clinician is usually the first in a series of 'tests' to diagnose skin cancer. Read More

Cochrane Database Syst Rev 2018 Dec 3;12:CD011902. Epub 2018 Dec 3.

Institute of Applied Health Research, University of Birmingham, Birmingham, UK, B15 2TT.

Background: Melanoma has one of the fastest rising incidence rates of any cancer. It accounts for a small percentage of skin cancer cases but is responsible for the majority of skin cancer deaths. Although history-taking and visual inspection of a suspicious lesion by a clinician are usually the first in a series of 'tests' to diagnose skin cancer, dermoscopy has become an important tool to assist diagnosis by specialist clinicians and is increasingly used in primary care settings. Read More

Cochrane Database Syst Rev 2018 Dec 3;12:CD013190. Epub 2018 Dec 3.

Institute of Applied Health Research, University of Birmingham, Birmingham, UK, B15 2TT.

Background: Melanoma has one of the fastest rising incidence rates of any cancer. It accounts for a small percentage of skin cancer cases but is responsible for the majority of skin cancer deaths. Early detection and treatment is key to improving survival; however, anxiety around missing early cases needs to be balanced against appropriate levels of referral and excision of benign lesions. Read More

Invest Ophthalmol Vis Sci 2018 Dec;59(15):5816-5822

Laboratory of Sensorimotor Research, National Eye Institute, National Institutes of Health, U.S. Department of Health and Human Services, Bethesda, Maryland, United States.

Purpose: Stereoscopic vision, by detecting interocular correlations, enhances depth perception. Stereodeficiencies often emerge during the first months of life, and left untreated can lead to severe loss of visual acuity in one eye and/or strabismus. Early treatment results in much better outcomes, yet diagnostic tests for infants are cumbersome and not widely available. Read More

PLoS One 2018 6;13(12):e0208571. Epub 2018 Dec 6.

Haaglanden Medical Center, The Hague, the Netherlands.

Aim: Increasing evidence exists with respect to the relation between stressful life events and functional constipation (FC). We aimed to investigate the prevalence of FC in Palestinian refugee preschool children and to determine if stress and trauma exposure are risk factors of FC in these children.

Methods: From November 2013 until May 2014, a cross-sectional survey was conducted in West Bank, Gaza and Jordan. Read More

PLoS One 2018 6;13(12):e0208549. Epub 2018 Dec 6.

Department of Agronomy, Faculty of Agriculture at Kamphaeng Saen, Kasetsart University, Kamphaeng Saen, Nakhon Pathom, Thailand.

Jatropha (Jatropha curcas) is an oil-bearing plant used for biodiesel production. Construction of its standard karyotype and identification of the euchromatin/heterochromatin distribution associated with gene expression and meiotic recombination are essential to fully characterize its genome. Here, we developed a J. Read More

PLoS One 2018 6;13(12):e0208281. Epub 2018 Dec 6.

The Environmental Laboratory, U.S. Army Engineer Research and Development Center, Vicksburg, Mississippi, United States of America.

Microbiome studies focused on ecologically relevant vertebrate models like reptiles have been limited. Because of their relatively small home range, fast maturation, and high fecundity, lizards are an excellent reptilian terrestrial indicator species. For this study we used the green anole, Anolis carolinensis, to assess the impact of military relevant contaminants on fecal microbiome composition. Read More

PLoS One 2018 6;13(12):e0207707. Epub 2018 Dec 6.

Laboratory of Molecular Oncology, Hellenic Foundation for Cancer Research/Aristotle University of Thessaloniki, Thessaloniki, Greece.

In the current study, we performed a complete analysis, with four different methods, of all four HER family receptors, in a series of patients with metastatic breast cancer treated with trastuzumab-based regimens and evaluated their prognostic value. Formalin-fixed paraffin-embedded tumor tissue samples were collected from 227 patients, considered to be HER2-positive when assessed at the local laboratories. We evaluated gene amplification, copy number variations (CNVs), mRNA and protein expression of all four HER family members. Read More

PLoS One 2018 6;13(12):e0208274. Epub 2018 Dec 6.

School of Agriculture and Environment, The University of Western Australia, Perth, WA, Australia.

Crop residue retention on the soil surface in no-tillage system can intercept pre-emergent herbicides and reduce their efficacy. Three experiments were conducted to investigate the effect of crop residue amount (0, 1, 2 and 4 t ha-1), moisture (wet versus dry), type (wheat, barley, canola, chickpea and lupin) and age (fresh or aged for one year) on the interception and subsequent leaching of prosulfocarb, pyroxasulfone, and trifluralin from the residue into soil. Bioassays, using cucumber and annual ryegrass as indicator plants, were used to assess herbicide activity/availability in the soil and on the residue. Read More

PLoS Comput Biol 2018 Dec 6;14(12):e1006612. Epub 2018 Dec 6.

Institute for Theoretical Biology, Department of Biology, Humboldt-Universität zu Berlin, Berlin, Germany.

Neural morphology and membrane properties vary greatly between cell types in the nervous system. The computations and local circuit connectivity that neurons support are thought to be the key factors constraining the cells' biophysical properties. Nevertheless, additional constraints can be expected to further shape neuronal design. Read More

J Clin Invest 2018 Dec 6. Epub 2018 Dec 6.

ARHGEF1 is a RhoA-specific guanine nucleotide exchange factor expressed in hematopoietic cells. We used whole-exome sequencing to identify compound heterozygous mutations in ARHGEF1, resulting in the loss of ARHGEF1 protein expression in two primary-antibody-deficient siblings presenting with recurrent severe respiratory tract infections and bronchiectasis. Both ARHGEF1-deficient patients showed an abnormal B cell immunophenotype, with a deficiency in marginal-zone and memory B cells and an increased frequency of transitional B cells. Read More

J Phys Condens Matter 2019 Jan;31(2):025401

Materials Science Program, School of Mechanical, Industrial and Manufacturing Engineering, Oregon State University, Corvallis, OR 97331, United States of America.

Nanoscale metallic glasses (MGs) are frequently used in experimental and computational studies to probe the deformation mechanisms in amorphous metals. Potential consequences of the significant surface to volume ratio in these extremely small materials, nevertheless, are not well understood. Here, using molecular dynamics simulations and novel selective 3D visualization, we show that significant irreversible atomic shear strain condenses on the 3D surface of these materials under low uniaxial stress, while the interior atoms are bearing much lower, mostly reversible shear strain. Read More

J Phys Condens Matter 2019 Jan;31(2):025802

ISIS Neutron and Muon Facility, Science and Technology Facilities Council, Rutherford Appleton Laboratory, Didcot, OX11 0QX, United Kingdom.

The presence of spin-fluctuations deep within the ordered state of ferromagnetic [Formula: see text] alloy [Formula: see text] has long been suspected but seldom directly observed. Inhomogeneities of one type or another have been cited as important in stabilizing [Formula: see text] behaviour-either longitudinal spin-fluctuations associated with the [Formula: see text]-state (local environment) model or transverse magnetisation arising from non-collinear spin structures. In this study we employ small-angle neutron scattering with neutron polarization analysis to distinguish between the two possibilities. Read More

Acta Med Port 2018 Nov 30;31(11):680-690. Epub 2018 Nov 30.

Unidade de Saúde Familiar S. Julião. Agrupamento de Centros de Saúde de Lisboa Ocidental e Oeiras. Lisboa. Portugal.

Introduction: Female sexual dysfunction is a common problem, affecting more than 1/3 of women during their lives. The aim of this review is to review the evidence for the effectiveness of testosterone in sexual dysfunction in postmenopausal women, particularly in the improvement of sexual desire.

Material And Methods: The authors searched in international databases National Guidelines Clearinghouse, Guidelines Finder, Cochrane Library and MEDLINE/PubMed, for guidelines, systematic reviews, meta-analysis and randomized controlled trials, published between January 2005 and February 2017, using the MeSH terms 'testosterone', 'androgens', 'libido', 'sexual dysfunctions' and 'menopause'. Read More

Acta Med Port 2018 Nov 30;31(11):648-655. Epub 2018 Nov 30.

Serviço de Neonatologia. Departamento de Pediatria. Hospital Universitário de Santa Maria. Centro Hospitalar Lisboa Norte. Lisboa. Clínica Universitária de Pediatria. Faculdade de Medicina. Universidade de Lisboa. Lisboa. Portugal.

Introduction: Prematurity and low birth weight have been associated with increased neonatal morbidity and mortality. This study aimed to evaluate possible risk factors for prematurity associated with fetal growth restriction and being small for gestational age and to determine the incidence of morbidity in these two groups of infants.

Material And Methods: Retrospective case-control study of newborns with gestational age of less than 32 weeks, with obstetric diagnosis of fetal growth restriction and with the clinical diagnosis of small for gestational age, admitted to the Neonatal Intensive Care Unit of a tertiary hospital for a period of six years. Read More

FASEB J 2018 Dec 6:fj201802018R. Epub 2018 Dec 6.

Division of Life Sciences, Korea University, Seoul, South Korea.

Extracellular vesicles contain various cellular components that are involved in tumor growth, metastasis, and immune escape. Extracellular vesicles are classified into 2 groups, namely, exosomes and microvesicles (MV). Although the formation and roles of exosomes have been studied, the exact functions of MVs and mechanisms underlying MV release are not fully understood. Read More

FASEB J 2018 Dec 6:fj201801414R. Epub 2018 Dec 6.

Center for Microbial Ecology and Technology (CMET), Ghent University, Ghent, Belgium.

The intestinal epithelium plays an essential role in the balance between tolerant and protective immune responses to infectious agents. In vitro models do not typically consider the innate immune response and gut microbiome in detail, so these models do not fully mimic the physiologic aspects of the small intestine. We developed and characterized a long-term in vitro model containing enterocyte, goblet, and immune-like cells exposed to a synthetic microbial community representative of commensal inhabitants of the small intestine. Read More

J Phys Chem A 2018 Dec 6. Epub 2018 Dec 6.

The ability to accurately calculate relative energies of fullerenes is important in many areas of computational nanotechnology. Due to the large size of fullerenes, their relative energies cannot normally be calculated by means of high-level ab initio procedures, and therefore density functional theory (DFT) represents a cost-effective alternative. In an extensive benchmark study, we calculate the electronic energies of eight C60 isomers by means of the high-level G4(MP2) composite procedure. Read More

J Phys Chem B 2018 Dec 6. Epub 2018 Dec 6.

Periodic, nanostructured porous polymer membranes made from the cross-linked inverted hexagonal phase of self-assembled lyotropic liquid crystals (LLCs) are a promising class of materials for selective separations. In this work, we investigate an experimentally characterized LLC polymer membrane using atomistic molecular modeling. In particular, we compare simulated X-ray diffraction (XRD) patterns with experimental XRD data to quantify and understand the differences between simulation and experiment. Read More

J Am Chem Soc 2018 Dec 6. Epub 2018 Dec 6.

Ribosomally-synthesized and post-translationally-modified peptides (RiPPs) are an emerging class of natural products that harbor diverse chemical functionalities, usually introduced via the action of a small number of tailoring enzymes. We have been interested in RiPP biosynthetic gene clusters that encode unusual metalloenzymes, as these may install yet unknown alterations. Using a new bioinformatic search strategy, we recently identified an array of unexplored RiPP gene clusters that are quorum sensing-regulated and contain one or more uncharacterized radical S-adenosylmethionine (RaS) metalloenzymes. Read More

ACS Nano 2018 Dec 6. Epub 2018 Dec 6.

Application of transition metal phosphides (TMPs) for electrochemical energy conversion and storage has great potential to alleviate the energy crisis. Although there are various methods to obtain TMPs, it is still immensely challenging to fabricate hierarchical porous TMPs with superior electrochemical performances by a simple, green and secure method. We herein describe a facile approach for fabricating CoP/C nanoboxes by pyrolyzing phytic acid (PA) cross-linked Co complexes that acquired from reaction of PA and ZIF-67. Read More

Biochemistry 2018 Dec 6. Epub 2018 Dec 6.

Nucleosome assembly proteins (Naps) influence chromatin dynamics by directly binding to histones. Here we provide a comprehensive structural and biochemical analysis of a Nap protein from Caenorhabditis elegans (CeNap1). CeNap1 naturally lacks the acidic N-terminal tail and has a short C-terminal tail compared to many other Nap proteins. Read More