63,051 results match your criteria Orbital Infection Imaging


Energy-Degeneracy-Driven Covalency in Actinide Bonding.

J Am Chem Soc 2018 Dec 12. Epub 2018 Dec 12.

Los Alamos National Laboratory , P.O. Box 1663, Los Alamos , New Mexico 87545 , United States.

Evaluating the nature of chemical bonding for actinide elements represents one of the most important and long-standing problems in actinide science. We directly address this challenge and contribute a Cl K-edge X-ray absorption spectroscopy and relativistic density functional theory study that quantitatively evaluates An-Cl covalency in AnCl (An = Th, U, Np, Pu). The results showed significant mixing between Cl 3p- and An 5f- and 6d-orbitals (t*/t* and t*/e *), with the 6d-orbitals showing more pronounced covalent bonding than the 5f-orbitals. Read More

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December 2018

Refluxed Esterification of Fullerenes Conjugated P25 TiO2 Promotes Free Radical Scavenging Capacity and Facilitates Anti-aging Potentials in Human Cells.

ACS Appl Mater Interfaces 2018 Dec 12. Epub 2018 Dec 12.

Titanium dioxide nanomaterials have good capability to prevent human cells from damage under UV irradiation. However, some studies indicated that the nanoscale of titanium dioxide could potentially cause harmful effects such as free radicals generation under UV irradiation and thereby accelerate the progress of cell aging. Fullerenes can scavenge large amounts of free radicals due to the fact that fullerenes contain enormous amount of π electrons with low lying lowest unoccupied molecular orbital (LUMO), but its adverse properties, such as the poor solubility in water, restricted the applicability. Read More

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December 2018

π-Hydrogen bonding and aromaticity: a systematic interplay study.

Phys Chem Chem Phys 2018 Dec 12. Epub 2018 Dec 12.

Department of Chemistry, Shiraz University of Technology, Shiraz 71555-313, Iran.

Quantum DFT calculations, corrected for long-range interactions, have been carried out on complex models formed between HF as a proton donor and 2-methylene-2H-indene derivatives as proton acceptors. Using various exocyclic X substitutions, mutual effects of the aromaticity and the strength of the resulting π-hydrogen bond (after its evaluation by AIM methodology) have been investigated. The results show that the aromaticity of 6-membered rings and the hydrogen bond strength increase upon increasing the electron-donating character of the X-substituents. Read More

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December 2018

Design of a Versatile Sample Holder for Facile Culture of Cells on Electrospun Membranes or Thin Polymer Films Under Flow Conditions.

Methods Mol Biol 2018 Dec 12. Epub 2018 Dec 12.

Empa, Swiss Federal Laboratories for Materials Science and Technology, Laboratory for Biointerfaces, St. Gallen, Switzerland.

Endothelial cell culture under flow, to mimic physiological conditions within blood vessels, has gained particular attention for the formation of a homogeneous endothelium in vitro. Here, we report on the design of a setup for simultaneous culture of up to nine electrospun membranes or thin polymer films in custom-made holders under flow on an orbital shaker. The versatile design of the device allows for the use of electrospun membranes/polymer films of choice and subsequent analysis with commonly used methods such as immunofluorescence or scanning electron microscopy. Read More

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December 2018

Orbital compartment syndrome resulting in unilateral blindness in two dogs.

Open Vet J 2018 22;8(4):445-451. Epub 2018 Nov 22.

Department of Clinical Sciences, Companion and Equine Animals, Ophthalmology, University of Liège, Quartier Vallée 2, Avenue de Cureghem 3, 4000 Liège, Belgium.

Orbital compartment syndrome (OCS) is described in humans as an acute rise in intraorbital pressure following a severe and rapidly evolving orbital affection. It includes orbital oedema, haemorrhage or infection causing a marked reduction in local blood perfusion, and severely affecting the orbital neurovascular structures. If not promptly recognised and treated, it results in irreversible blindness. Read More

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November 2018

Critical Role of Somatosensation in Postural Control Following Spaceflight: Vestibularly Deficient Astronauts Are Not Able to Maintain Upright Stance During Compromised Somatosensation.

Front Physiol 2018 27;9:1680. Epub 2018 Nov 27.

Human Research Program, Johnson Space Center, National Aeronautics and Space Administration, Houston, TX, United States.

The free-fall of orbital spaceflight effectively removes the gravitational vector used as a primary spatial orientation reference on Earth. Sustained absence of this reference drives adaptive changes in the internal perception-action models of the central nervous system (CNS), most notably in the processing of the vestibular otolith inputs. Upon landing, the return of the gravitational signal triggers a re-adaptation that restores terrestrial performance; however, during this period, the individual suffers from a functional vestibular deficiency. Read More

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November 2018

Ferromagnetism in graphene traced to antisymmetric orbital combination of involved electronic states.

J Phys Condens Matter 2018 Dec 11. Epub 2018 Dec 11.

Department of Physics, Fudan University, Shanghai 200433, PEOPLES REPUBLIC OF CHINA, Shanghai, 200433, CHINA.

Based on first principles calculations, we reveal that the origin of ferromagnetism caused by $sp$ electrons in graphene with vacancies can be traced to electrons partially filling $sp^{2*}$-antibonding and $p_z^*$-nonbonding states, which are induced by the vacancies and appear near the Fermi level. Because the spatial wavefunctions of the both states are composed of atomic orbitals in an antisymmetric configuration, their spin wavefunctions should be symmetric according to the electron exchange antisymmetric principle, leading to electrons partially filling these states in spin polarization. Since this $p_z^*$ state originates not from interactions between the atoms but from the unpaired $p_z$ orbitals due to the removal of $p_z$ orbitals on the minority sublattice, the $p_z^*$ state is constrained, distributed on the atoms of the majority sublattice, and decays gradually from the vacancy as $\sim$ $1/r$. Read More

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December 2018

Ethynylpyrene Linked Benzocrown Ethers as Fluorescent Sensors for Metal Ions.

Photochem Photobiol 2018 Dec 11. Epub 2018 Dec 11.

Division of Material Chemistry, Graduate School of Natural Science and Technology, Kanazawa University, Kakuma-machi, Kanazawa, Ishikawa, 920-1192, Japan.

Substances containing ethynylpyrenes linked to either one or four benzocrown ethers were synthesized and their absorption and fluorescence spectroscopic responses to metal ions were assessed. Addition of metal perchlorates to solutions of these substances promotes short wavelength shifts in their absorption and fluorescence maxima and increases in their fluorescence intensities. The magnitudes of the fluorescence intensity increases are dependent on the ring size and number of the crown ether and the nature of the metal cation. Read More

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December 2018

Ladder-Type Nonacyclic Arene Bis(thieno[3,2-b]thieno)cyclopentafluorene as A Promising Building Block for Non-Fullerene Acceptor.

Chem Asian J 2018 Dec 10. Epub 2018 Dec 10.

CHINA.

A ladder-type nonacyclic arene (bis(thieno[3,2-b]thieno)cyclopentafluorene (BTTF)) has been designed and synthesized through fusing thienothiophenes with the fluorene core from the synthon of dimethyl 9,9-dioctyl-2,7-bis(thieno[3,2-b]thiophen-2-yl)fluorene-3,6-dicarboxylate. With BTTF as the central donor unit, a novel acceptor-donor-acceptor (A-D-A) type non-fullerene small molecule acceptor (BTTFIC) was prepared with 1,1-dicyanomethylene-3-indanones (IC) as the peripheral acceptor units. The energy level of the highest occupied molecular orbital (HOMO) and the lowest unoccupied molecular orbital (LUMO) of BTTFIC locate at -5. Read More

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December 2018

Neurons in rat orbitofrontal cortex and medial prefrontal cortex exhibit distinct responses in reward and strategy-update in a risk-based decision-making task.

Metab Brain Dis 2018 Dec 8. Epub 2018 Dec 8.

Beijing Key Laboratory of Learning and Cognition, College of Psychology, Capital Normal University, Beijing, 100037, China.

The orbitofrontal cortex (OFC) and the medial prefrontal cortex (mPFC) are known to participate in risk-based decision-making. However, whether neuronal activities of these two brain regions play similar or differential roles during different stages of risk-based decision-making process remains unknown. Here we conducted multi-channel in vivo recordings in the OFC and mPFC simultaneously when rats were performing a gambling task. Read More

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December 2018

Basal cell carcinoma and basosquamous carcinoma, two faces of the same condition?

Rom J Morphol Embryol 2018 ;59(3):989-996

Department of Microscopic Morphology, "Victor Babeş" University of Medicine and Pharmacy, Timişoara, Romania; Department of Otorhinolaryngology, "Victor Babeş" University of Medicine and Pharmacy, Timişoara, Romania;

Basal cell carcinoma (BCC) is the most common locally invasive malignant epidermal neoplasm. It is generally a tumor that runs a slow progressive course and can usually be cured by surgery. Basosquamous carcinoma is considered by some authors a rare subtype of BCC, while others describe it as independent tumor with different evolution from BCC. Read More

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January 2018

Mixed (nodular and morpheic) upper eyelid basal cell carcinoma with orbital invasion - histological and clinical features.

Rom J Morphol Embryol 2018 ;59(3):977-983

Department of Plastic Surgery, "Grigore T. Popa" University of Medicine and Pharmacy, Iaşi, Romania;

Basal cell carcinoma (BCC) is the most common type of cancer located in the periocular area. We will present the clinical case of a 63-year-old male patient who was admitted to the 2nd Clinic of Neurosurgery, "Prof. Dr. Read More

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January 2018

Multi-electron reduction of Wells-Dawson polyoxometalate films onto metallic, semiconducting and dielectric substrates.

Phys Chem Chem Phys 2018 Dec 10. Epub 2018 Dec 10.

Institute of Nanoscience and Nanotechnology (INN), National Center for Scientific Research (NCSR) "Demokritos", 15341 Agia Paraskevi, Attica, Greece.

The investigation of conditions allowing multi-electron reduction and reoxidation of polyoxometalate (POM) films onto solid substrates is considered an issue of critical importance for their successful incorporation in electronic devices, different types of sensors and catalytic systems. In the present paper, the rich multi-electron redox chemistry of films of Wells-Dawson ammonium salts, namely (NH4)6P2Mo18O62 and (NH4)6P2W18O62, on top of metallic (Al), semiconducting (ITO) and dielectric (SiO2) substrates under ambient conditions is investigated. The respective Keggin heteropolyacids, H3PMo12O40 and H3PW12O40, are also investigated for comparison. Read More

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December 2018

Reconstruction of Medial Canthal Tendon Using Novel Suture Anchoring System: A Case Report.

Plast Reconstr Surg Glob Open 2018 Oct 15;6(10):e1908. Epub 2018 Oct 15.

Department of Plastic and Reconstructive Surgery, Kansai Medical University, Osaka, Japan.

For medial canthal tendon reattachment, many kinds of surgical technique have previously been reported. They are complicated and generally require technical skill and prolonged operating times. We, for the first time, describe a novel device, the Caraji Anchor Suture System, used for reattaching the medial canthal tendon to the medial orbital wall after removal of squamous cell carcinoma. Read More

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October 2018

Delayed diagnosis of post-traumatic aneurysm of distal anterior cerebral artery.

Surg Neurol Int 2018 1;9:222. Epub 2018 Nov 1.

Department of Neurosurgery, Regina Elena National Cancer Institute, Neurosurgery Department, Via Elio Chianesi 53, 00144, Rome, Italy.

Background: Traumatic intracranial aneurysms (TICA) are often associated with poor prognosis and should be diagnosed as soon as possible to prevent delayed intracranial hemorrhage and high rates of morbidity/mortality related to bleeding. Diagnosis requires a high index of suspicion. The goal of treatment is to exclude the aneurysm issue with surgical or endovascular methods. Read More

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November 2018

Fragment Molecular Orbital Calculations with Implicit Solvent Based on the Poisson-Boltzmann Equation: II. Protein and Its Ligand-Binding System Studies.

J Phys Chem B 2018 Dec 11. Epub 2018 Dec 11.

In this study, the electronic properties of bioactive proteins were analyzed using an ab initio fragment molecular orbital (FMO) methodology in solution: coupling with an implicit solvent model based on the Poisson-Boltzmann surface area called as FMO-PBSA. We investigated the solvent effects on practical and heterogeneous targets with uneven exposure to solvents unlike deoxyribonucleic acid analyzed in our recent study. Interfragment interaction energy (IFIE) and its decomposition analyses by FMO-PBSA revealed solvent-screening mechanisms that affect local stability inside ubiquitin protein: The screening suppresses excessiveness in bare charge-charge interactions and enables an intuitive IFIE analysis. Read More

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December 2018

The involvement of T cell pathogenesis in thyroid-associated ophthalmopathy.

Eye (Lond) 2018 Dec 7. Epub 2018 Dec 7.

Department of Ophthalmology, Shanghai Ninth People's Hospital, Shanghai JiaoTong University School of Medicine, 200011, Shanghai, China.

Thyroid-associated ophthalmoapthy (TAO) is the most common orbital disease. As an autoimmune disorder, it is caused by self-reactive lymphocytes that escape immune tolerance, but the mechanism is not fully understood. The basic process of TAO is the infiltration of immune cells in orbital tissues, the activation of orbital fibroblasts (OFs), and the proliferation and differentiation of OFs and lymphocytes. Read More

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December 2018
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Retrospective review of the complication profile associated with 71 subcranial and transcranial midface distraction procedures at a single institution.

Plast Reconstr Surg 2018 Nov 26. Epub 2018 Nov 26.

Division of Plastic Surgery, Children's Hospital of Philadelphia, Philadelphia, PA.

Background/purpose: Patients with syndromic craniosynostosis and midface hypoplasia often undergo midface advancement to improve respiratory function, orbital relationships, and facial appearance. This study characterizes the perioperative morbidity of a large cohort of subjects who underwent transcranial or subcranial midface distraction.

Methods: Demographic and perioperative data were compared between those who underwent transcranial or subcranial midface DO between July 1999 and December 2017. Read More

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November 2018

Isolated Superior Rectus Muscle Hematoma Following Blunt Orbital Trauma.

J Craniofac Surg 2018 Dec 10. Epub 2018 Dec 10.

Department of Ophthalmology, Meir Medical Center, Kfar Saba, affiliated with Sackler Faculty of Medicine, Tel Aviv University, Tel Aviv, Israel.

Isolated ocular muscle hematoma due to blunt trauma is very rare. In this study, a 15-year-old patient presented with an isolated superior rectus hematoma due to an orbital hit from a cellular phone. He was treated with oral corticosteroids alone. Read More

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December 2018

Application of Three-Dimensional Printing Technology for Improved Orbital-Maxillary-Zygomatic Reconstruction.

J Craniofac Surg 2018 Dec 10. Epub 2018 Dec 10.

Department of Oral and Maxillofacial Surgery, the Second Hospital of Shandong University.

The reconstruction of orbital-maxillary-zygomatic complex (OMZC) on patients suffering from trauma and space-occupying lesions is challenging due to the irregularity of craniomaxillofacial bones. To overcome the challenge in precise OMZC reconstruction, individual three-dimensional (3D) disease models and mirror-imaged 3D reconstruction models were printed on the basis of the computer tomography. Preoperative planning by rehearsing surgical procedures was made on the 3D disease models and the scaffolds including titanium and absorbable meshes or plates were anatomically premolded using the mirror-imaged 3D models as guide. Read More

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December 2018

Maxillary Sinus Mass as First Presentation of Silent Metastatic Renal Cell Carcinoma.

J Craniofac Surg 2018 Dec 10. Epub 2018 Dec 10.

Department of Otolaryngology, University of Foggia, Foggia.

Renal cell carcinoma accounts for more than 3% of all malignant diseases. Metastatic disease to the head and neck ranges from 15% to 30%. The 5-year survival rate after nephrectomy is 60% to 75%, but with multiorgan metastases the 5-year survival rate is significantly lower, 0% to 7%. Read More

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December 2018

Retroposition of the Globe After Le Fort III Midfacial Distraction.

J Craniofac Surg 2018 Dec 10. Epub 2018 Dec 10.

Harvard Medical School.

Background: Patients with syndromic craniosynostosis exhibit exorbitism due to supraorbital and midfacial retrusion. This study documented the change in sagittal orbital-globe relationship following Le Fort III midfacial advancement.

Methods: This retrospective case series comprised patients with syndromic craniosynostosis who underwent midfacial distraction from 1997 to 2016. Read More

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December 2018

Single crystal XRD, DFT investigations and molecular docking study of 2- ((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)naphthalene-1,4-dione as a potential anti- cancer lead molecule.

Comput Biol Chem 2018 Nov 30;78:153-164. Epub 2018 Nov 30.

Department of Chemistry, St. Berchmans College (Autonomous), Changanasserry, Kerala, India.

A derivative of naphthaquinone, 2-((1,5-dimethyl-3-oxo-2-phenyl-2,3-dihydro-1H-pyrazol-4-yl)amino)naphthalene-1,4-dione (DPDHN) was synthesized from lawsone by ultrasound accelerated technique. The compound was characterized by elemental analysis, IR, UV-vis, NMR and mass spectral studies. Single crystal X-ray diffraction studies revealed that the compound crystallized in monoclinic space group P2/c. Read More

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November 2018

Bullying victimization in typically developing and clinical high risk (CHR) adolescents: A multimodal imaging study.

Schizophr Res 2018 Dec 7. Epub 2018 Dec 7.

Northwestern University, Department of Psychology, USA; Northwestern University, Department of Psychiatry, USA; Northwestern University, Department of Medical Social Sciences, USA; Northwestern University, Institute for Policy Research, USA; Northwestern University, Institute for Innovations in Developmental Sciences, USA.

Background: Bullying has been shown to increase the risk of developing a psychotic disorder. To date, no studies have examined brain behavior relationships within the context of bullying victimization in clinical high-risk (CHR) youth, a group characterized by both gray and white matter abnormalities. The present study employed multimodal neuroimaging to examine possible neural mechanisms associated with bullying victimization. Read More

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December 2018

Functional outcomes of upper eyelid blepharoplasty: A systematic review.

J Plast Reconstr Aesthet Surg 2018 Nov 22. Epub 2018 Nov 22.

Department of Oral and Maxillofacial Surgery, University of Groningen and University Medical Center Groningen (UMCG), PO BOX 30.001, Groningen 9700 RB, The Netherlands.

Objective: Various functional outcomes after upper blepharoplasty are reported in the literature. We systematically reviewed the literature to assess the objective and subjective functional effects of upper blepharoplasty.

Methods: After a systematic search of four search engines (Pubmed, Embase, Cinahl and Cochraine), any study on objective and subjective (patient reported) functional outcome after upper blepharoplasty was subjected to a quality assessment for possible inclusion in the review. Read More

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November 2018

Investigating the cause of late deformity following fronto-orbital remodelling for metopic synostosis using 3D CT imaging.

J Craniomaxillofac Surg 2018 Nov 16. Epub 2018 Nov 16.

Craniofacial Unit, Great Ormond Street Hospital for Children, London, UK. Electronic address:

Purpose: Late deformity/indentation is well-recognised following fronto-orbital remodelling (FOR) for metopic synostosis. We hypothesise that if damage to temporalis muscle were a contributor, the thickness of soft tissue and bone in the affected area would be reduced.

Materials And Methods: Soft tissues and bone were separately segmented and reconstructed three-dimensionally from computed tomograms of 8 patients 1. Read More

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November 2018

Challenges With Severe Coronary Artery Calcification in Percutaneous Coronary Intervention: A Narrative Review of Therapeutic Options.

Can J Cardiol 2018 Dec 14;34(12):1564-1572. Epub 2018 Aug 14.

Division of Cardiology, Mazankowski Alberta Heart Institute, University of Alberta, Edmonton, Alberta, Canada. Electronic address:

Coronary calcification often complicates atherosclerosis. With an aging population, coinciding with lower thresholds for coronary angiography and percutaneous coronary intervention (PCI), severe calcific coronary stenoses remain a challenge for interventional cardiologists. Although advances in coronary guidewires, percutaneous balloons, and adjunctive procedural devices have improved success of PCI, recalcitrant calcified lesions not amenable to the conventional technique frequently occur. Read More

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December 2018

DFT-Based QSAR Modelling of Inhibitory Activity of Coumarins and Sulfocoumarins on Carbonic Anhydrase (CA) Isoforms (CA I and CA II).

Authors:
Erol Eroğlua

Curr Comput Aided Drug Des 2018 Dec 10. Epub 2018 Dec 10.

Department of Mathematics and Sciences Education, Faculty of Education, Akdeniz University, Dumlupınar Bulvarı, Kampüs, 07058, Antalya. Turkey.

Objective: We present three robust, validated and statistically significant quantitative structure-activity relationship (QSAR) models, which deal with the calculated molecular descriptors and experimental inhibition constant (Ki) of 42 coumarin and sulfocoumarin derivatives measured against CA I and II isoforms.

Method: The compounds were subjected to DFT calculations in order to obtain quantum chemical molecular descriptors. Multiple linear regression algorithm was applied to construct QSAR models. Read More

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December 2018

Quantum Monte Carlo study of the electron binding energies and aromaticity of small neutral and charged boron clusters.

J Chem Phys 2018 Dec;149(21):214303

Instituto de Física, Universidade Federal de Goiás, 74001-970 Goiânia, GO, Brazil.

The valence electron binding energies and the aromaticity of neutral and charged small boron clusters with three and four atoms are investigated using a combination of the fixed-node diffusion quantum Monte Carlo (FN-DMC) method, the density functional theory, and the Hartree-Fock approximation. The obtained electron binding energies such as the adiabatic detachment energy, vertical detachment energy, adiabatic ionization potential, and the vertical ionization potential are in excellent agreement with available experimental measurements. Their decomposition into three physical components such as the electrostatic potential and exchange interaction, the relaxation energy, and the electronic correlation effects has allowed us to determine that the neutral boron clusters are stabilized by the electrostatic and exchange interactions, while the anionic ones are stabilized by the relaxation and correlation effects. Read More

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December 2018

Optical Trapping, Optical Binding, and Rotational Dynamics of Silicon Nanowires in Counter-Propagating Beams.

Nano Lett 2018 Dec 7. Epub 2018 Dec 7.

Silicon nanowires are held and manipulated in controlled optical traps based on counter-propagating beams focused by low numerical aperture lenses. The double-beam configuration compensates light scattering forces enabling an in-depth investigation of the rich dynamics of trapped nanowires that are prone to both optical and hydrodynamic interactions. Several polarization configurations are used, allowing the observation of optical binding with different stable structure as well as the transfer of spin and/or orbital momentum of light to the trapped silicon nanowires. Read More

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December 2018

The Most Twisted Acyclic Amides: Structures and Reactivity.

Org Lett 2018 Dec 10. Epub 2018 Dec 10.

Department of Chemistry , Rutgers University , 73 Warren Street , Newark , New Jersey 07102 , United States.

The synthesis, crystal structures, and reactivity of the most twisted acyclic amides described to date are reported. Substitution at the nitrogen atom in simple benzamides with Ts and acyl or carbamate groups provides a unique way to achieve almost perpendicular twist in N-acyclic amides (τ = 77°, N = Ac; τ = 87°, N = Boc). The overlap between the Nlp and CO π* orbital is disrupted due to geometrical constraints around the N-substituents. Read More

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December 2018
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Multicomponent Coupled Cluster Singles and Doubles Theory within the Nuclear-Electronic Orbital Framework.

J Chem Theory Comput 2018 Dec 7. Epub 2018 Dec 7.

The nuclear-electronic orbital (NEO) method treats all electrons and specified nuclei, typically protons, quantum mechanically on the same level with molecular orbital techniques. This approach directly includes nuclear delocalization, anharmonicity, and zero point energy contributions of the quantum nuclei in the self-consistent-field procedure for solving the time-independent Schrödinger equation. Herein the multicomponent wave function based methods configuration interaction singles and doubles (CISD) and coupled cluster singles and doubles (CCSD) are implemented within the NEO framework and are applied to molecular systems. Read More

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December 2018

Excited-state diffusion Monte Carlo calculations: a simple and efficient two-determinant ansatz.

J Chem Theory Comput 2018 Dec 7. Epub 2018 Dec 7.

We perform excited-state variational Monte Carlo and diffusion Monte Carlo calculations using a simple and efficient wave function ansatz. This ansatz follows the recent variation-after-response formalism, accurately approximating a configuration interaction singles wave function as a sum of only two non-orthogonal Slater determinants, and further including important orbital relaxation. The ansatz is used to perform diffusion Monte Carlo calculations with large augmented basis sets, comparing to benchmarks from near-exact quantum chemical methods. Read More

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December 2018

Photochemical resolution of a thermally inert cyclometalated Ru(phbpy)(N-N)(sulfoxide)+ complex.

J Am Chem Soc 2018 Dec 11. Epub 2018 Dec 11.

In this work a photosubstitution strategy is presented that can be used for the isolation of chiral organometallic complexes. A series of five cyclometalated complexes [Ru(phbpy)(N-N)(DMSO-κS)]+ ([1]PF6-[5]PF6) were synthesized and characterized, where Hphbpy = 6'-phenyl-2,2'-bipyridyl, and N-N = bpy (2,2'-bipyridine), phen (1,10-phenanthroline), dpq (pyrazino[2,3-f][1,10]phenanthroline), dppz (dipyrido[3,2-a:2',3'-c]phenazine, or dppn (benzo[i]dipyrido[3,2-a:2',3'-c]phenazine), respective-ly. Due to the asymmetry of the cyclometalated phbpy- ligand, the corresponding [Ru(phbpy)(N-N)(DMSO-κS)]+complexes are chiral. Read More

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December 2018

Mechanical Deformation Distinguishes Tunneling Pathways in Molecular Junctions.

J Am Chem Soc 2018 Dec 8. Epub 2018 Dec 8.

Developing clearer understanding of electron tunneling through molecules is a central challenge in molecular electronics. Here we demonstrate the use of mechanical stretching to distinguish orbital pathways that facilitate tunneling in molecular junctions. Our experiments employ junctions based on self-assembled monolayers (SAMs) of homologous alkane thiols (CnT) and oligophenylene thiols (OPTn), which serve as prototypical examples of σ-bonded and π-bonded backbones, respectively. Read More

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December 2018

Long-term seizure outcome in frontal lobe epilepsy surgery.

Epilepsy Behav 2018 Dec 3;90:93-98. Epub 2018 Dec 3.

IRCCS "NEUROMED", Pozzilli, IS, Italy; Department of Neurology and Psychiatry, "Sapienza" University of Rome, Italy.

Purpose: The purpose of this study was to report long-term seizure outcome in patients who underwent frontal lobe epilepsy (FLE) surgery.

Method: This retrospective study included 44 consecutive subjects who underwent resective surgery for intractable FLE at IRCCS NEUROMED (period 2001-2014), followed up for at least 2 years (mean: 8.7 years). Read More

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December 2018
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Computational study of new 1,2,3-triazole derivative of lithocholic acid: Structural aspects, non-linear optical properties and molecular docking studies as potential PTP 1B enzyme inhibitor.

Comput Biol Chem 2018 Nov 22;78:144-152. Epub 2018 Nov 22.

Department of Chemistry, University of Delhi, Delhi, 110007, India. Electronic address:

We have reported synthesis of a novel 1,2,3-triazole conjugate of lithocholic acid by 1,3-dipolar cycloaddition reaction. The molecular properties such as geometry, conformations, bond lengths and dihedral angles were investigated theoretically. The bond order analysis was performed using Wiberg bond order (WBO), Fuzzy bond order (FBO) and Laplacian bond order (MBO) method. Read More

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November 2018
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Visual stimulus-driven functional organization of macaque prefrontal cortex.

Neuroimage 2018 Dec 3. Epub 2018 Dec 3.

Laboratory of Sensorimotor Research, National Eye Institute, National Institute of Mental Health, National Institutes of Health, 20892, Bethesda, United States. Electronic address:

The extent to which the major subdivisions of prefrontal cortex (PFC) can be functionally partitioned is unclear. In approaching the question, it is often assumed that the organization is task dependent. Here we use fMRI to show that PFC can respond in a task-independent way, and we leverage these responses to uncover a stimulus-driven functional organization. Read More

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December 2018
4 Reads

Controlling the Activity and Stability of Electrochemical Interfaces Using Atom-by-Atom Metal Substitution of Redox Species.

ACS Nano 2018 Dec 6. Epub 2018 Dec 6.

Understanding the molecular-level properties of electrochemically-active ions at operating electrode-electrolyte interfaces (EEI) is key to the rational development of high-performance nanostructured surfaces for applications in energy technology. Herein, an electrochemical cell coupled with ion soft landing is employed to examine the effect of "atom-by-atom" metal substitution on the activity and stability of well-defined redox-active anions, PMoWO (x = 0,1,2,3,6,9,12), at nanostructured ionic liquid EEI. A striking observation made by in situ electrochemical measurements and further supported by theoretical calculations is that substitution of only (1-3) tungsten by molybdenum atoms in the PWO anions results in a substantial spike in their first reduction potential. Read More

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December 2018
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Long-term results of endosseous implants as retention elements of orbital epitheses, reconstruction techniques, and aftercare after radical tumor resection.

Int J Oral Maxillofac Implants 2018 Dec 5. Epub 2018 Dec 5.

Purpose: The aim of this study was to examine the long-term results of implants in orbital reconstruction after exenteration.

Materials And Methods: From 1998 to 2012, patients undergoing implant-supported rehabilitation after subtotal or total exenteration due to a tumor were included in a retrospective study. All the patients were evaluated for soft tissue reconstruction, irradiation, complications, abutments, hygiene index, implant mobility, and long-term success. Read More

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December 2018
1 Read

Staphylococcus aureus from ocular and otolaryngology infections are frequently resistant to clinically important antibiotics and are associated with lineages of community and hospital origins.

PLoS One 2018 6;13(12):e0208518. Epub 2018 Dec 6.

Infectious Diseases Institute, Department of Ophthalmology, Harvard Medical School, Massachusetts Eye and Ear Infirmary, Boston, Massachusetts, United States of America.

Staphylococcus aureus is an important human pathogen that causes serious antibiotic-resistant infections. Its population structure is marked by the appearance and dissemination of successful lineages across different settings. To begin understanding the population structure of S. Read More

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December 2018
2 Reads

Quasi-degenerate magnetic states in α-RuCl.

J Phys Condens Matter 2019 Jan;31(2):025803

Department of Physics and Beijing Key Laboratory of Opto-electronic Functional Materials & Micro-nano Devices, Renmin University of China, Beijing 100872, People's Republic of China.

Exploring quantum spin liquid (QSL) state has both fundamental scientific value and realistic application potential. Recently, α-RuCl was experimentally observed to hold in-plane zigzag antiferromagnetic (AFM) order at low temperature, which was further proposed to be proximate to a Kitaev QSL ground state. We have studied the magnetic properties of α-RuCl in the framework of electronic structure calculation based on density functional theory (DFT) with Hubbard U correction (DFT+U) and spin-orbit coupling. Read More

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January 2019
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Synthesis of Functionalized Indolines and Dihydrobenzofurans by Iron and Copper Catalyzed Aryl C-N and C-O Bond Formation.

J Org Chem 2018 Dec 6. Epub 2018 Dec 6.

A simple and effective one-pot, two-step intramolecular aryl C-N and C-O bond forming process for the preparation of a wide range of benzo-fused heterocyclic scaffolds using iron and copper catalysis is described. Activated aryl rings were subjected to a highly regioselective, iron(III) triflimide-catalyzed iodination, followed by a copper(I)-catalyzed intramolecular N- or O-arylation step leading to indolines, dihydrobenzofurans and six-membered analogues. The general applicability and functional group tolerance of this method was exemplified by the total synthesis of the neolignan natural product, (+)-obtusafuran. Read More

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December 2018
2 Reads

A new approach to lower eyelid-cheek junction rejuvenation.

J Cosmet Dermatol 2018 Dec 5. Epub 2018 Dec 5.

Beijing Lomeye Cosmetic Surgery Clinic, Beijing, China.

Background: Anti-aging in lower eyelid-cheek junction area has always been the upmost widely sought of cosmetic surgery. Removal of orbital fat from inside or outside, removal of part of the skin or even the orbicularis muscle, superficial pull and deep fill and a series of surgical procedures like these have been or are becoming the mainstream of clinical practice. However, aging involves a variety of tissues and causes, which is a dynamic and continuous process. Read More

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December 2018
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Preliminary experience of the use of high-resolution skin ultrasound for the evaluation of extrathyroideal manifestations of Graves' disease and response to UVA-1 phototherapy.

Photodermatol Photoimmunol Photomed 2018 Dec 6. Epub 2018 Dec 6.

Dermatology Unit, Department of Medical, Surgical and Neuro-Sciences, University of Siena, Siena, Italy.

Graves' orbitopathy (GO) and pre-tibial mixedema (PTM) are autoimmune manifestation sharing the same etiology and histopathology, a chronic course and a frustrating treatment. Current management include topical and systemic corticosteroid as first line therapy, whereas cyclosporine, surgery and orbital radiotherapy are indicated for severe GO with variable results and mostly temporary remissions. In particular, keratopath and photophobia, due to exophthalmos and eyelid retraction, impaired eye mobility and diplopia due to the compression of optic nerve and extra-ocular muscles are usually minimally modified, as well as leg plaques/nodules and lymphoedema. Read More

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December 2018
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Extending spin-symmetry projected coupled-cluster to large model spaces using an iterative null-space projection technique.

J Comput Chem 2019 Jan;40(1):265-278

Graduate School of Science, Technology, and Innovation, Kobe University, Kobe, Hyogo, 657-0025, Japan.

Recently, we introduced an orbital-invariant approximate coupled-cluster (CC) method in the spin-projection manifold. The multi-determinantal property of spin-projection means that the parametrization in the spin-extended CC (ECC) ansatz is nonorthogonal and overcomplete. Therefore, the linear dependencies must be removed by an orthogonalization procedure to obtain meaningful solutions. Read More

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January 2019
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Theoretical investigation on the optical and EPR spectra for Cu doped ZnO-CdS nanocomposites.

Magn Reson Chem 2018 Dec 5. Epub 2018 Dec 5.

Jiangxi Engineering Laboratory for Optoelectronics Testing Technology, Nanchang Hangkong University, Nanchang, 330063, P. R. China.

The three optical absorption bands and EPR parameters of the [CuO ] center in the ZnO-CdS composite nanopowders are theoretically studied from the perturbation formulas based on the cluster approach. In the formulas, the contributions to EPR parameters arising from the ligand orbital and spin-orbit coupling interactions via covalence effect are considered. For the studied [CuO ] cluster, the Cu-O bond lengthes are suggested to show a relative elongation ratio ρ (≈ 4. Read More

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December 2018
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Interplay of orbital hopping and perpendicular magnetic field in anisotropic phase transitions for Bernal bilayer graphene and hexagonal boron-nitride.

Phys Chem Chem Phys 2018 Dec 6. Epub 2018 Dec 6.

Lehrstuhl für Theoretische Physik I, Technische Universität Dortmund, Otto-Hahn Straße 4, 44221 Dortmund, Germany.

We theoretically address the perpendicular magnetic field effects on the electronic phase of Bernal bilayer graphene and hexagonal boron-nitride (h-BN) taking into account the total and orbital-projected electronic bands using the tight-binding parameters in the Harrison model, followed by the Green's function method. First, we confirm that our model is computationally efficient and accurate for calculating the magneto-orbital electronic phase transition by reproducing the semimetallic and insulating treatments of pristine Bernal bilayer graphene and h-BN, respectively. In our model, the magnetic field couples only to the electron spin degrees of freedom (with the same contributions for spin-up and spin-down) due to the low dimension of the systems. Read More

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December 2018
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Clinical efficacy of transcutaneous triamcinolone acetonide injection for upper eyelid retraction and swelling in patients with thyroid eye disease.

Int Med Case Rep J 2018 9;11:325-331. Epub 2018 Nov 9.

Olympia Eye Hospital, Tokyo, Japan,

Aim: To evaluate the efficacy of transcutaneous triamcinolone acetonide (TA) injection for the treatment of upper eyelid retraction and swelling in thyroid eye disease (TED) patients.

Patients And Methods: This is a case series. Three euthyroid TED patients with features of both upper eyelid retraction and swelling were recruited. Read More

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November 2018