Adsorption of molecular hydrogen (H) on a fullerene (C) surface: insights from density functional theory and molecular dynamics simulation.

Understanding the adsorption behavior of molecular hydrogen (H) on solid surfaces is essential for a variety of technological applications, including hydrogen storage and catalysis. We examined the adsorption of H (∼2800 configurations) molecules on the surface of fullerene (C) using a combined approach of density functional theory (DFT) and molecular dynamics (MD) simulations with an improved Lennard-Jones (ILJ) potential force field. First, we determined the adsorption energies and geometries of H on the C surface using DFT calculations.

A Detailed Analysis of the Dynamic Behavior of a MEMS Vibrating Internal Ring Gyroscope.

This paper presents the development of an analytical model of an internal vibrating ring gyroscope in a Microelectromechanical System (MEMS). The internal ring structure consists of eight semicircular beams that are attached to the externally placed anchors. This research work analyzes the vibrating ring gyroscope's in-plane displacement behavior and the resulting elliptical vibrational modes.

Design and Modelling of MEMS Vibrating Internal Ring Gyroscopes for Harsh Environments.

This paper presents a design, model, and comparative analysis of two internal MEMS vibrating ring gyroscopes for harsh environmental conditions. The proposed design investigates the symmetric structure of the vibrating ring gyroscopes that operate at the identical shape of wine glass mode resonance frequencies for both driving and sensing purposes. This approach improves the gyroscope's sensitivity and precision in rotational motion.

Astrocyte focal adhesion kinase reduces passive stress coping by inhibiting ciliary neurotrophic factor only in female mice.

Astrocytes have been implicated in stress responses and produce ciliary neurotrophic factor (CNTF), which we have shown in the mouse medial amygdala (MeA) to promote passive stress coping response only in females. Pharmacological inhibition of focal adhesion kinase (FAK) upregulates CNTF expression. Here, we found that inducible knockout of FAK in astrocytes or systemic treatment with an FAK inhibitor increased passive coping behavior, i.

Adsorption of molecular hydrogen on BeAl(SiO)-beryl: theoretical insights for catalysis, hydrogen storage, gas separation, sensing, and environmental applications.

Employing a combination of Density Functional Theory (DFT) calculations and Molecular Dynamics (MD) simulations, the adsorption of molecular hydrogen (H) on BeAl(SiO)-beryl, a prominent silicate mineral, has been studied. The crystal structure of beryl, which consists of interconnected tetrahedral and octahedral sites, provides a fascinating framework for comprehending H adsorption behavior. Initial investigation of the interaction between H molecules and the beryl surface employed DFT calculations.

Exploring HCl-HCl interactions: QZVPP calculations, improved Lennard-Jones potential, and second virial coefficient analysis for thermodynamics and industrial applications.

In this paper, we present a comprehensive analysis of HCl-HCl interactions, including QZVPP calculations, energy fitting, conformation validation, and the determination of the second virial coefficient using improved Lennard-Jones (ILJ) potential parameters. To acquire accurate interaction energies, initial QZVPP calculations are performed on approximately 1851 randomly generated HCl-HCl conformations. Then, these energies are used to fit an improved Lennard-Jones potential energy surface, allowing for a robust description of HCl-HCl interactions.

Exploring the adsorption behavior of molecular hydrogen on CHA-zeolite by comparing the performance of various force field methods.

Molecular hydrogen (H) adsorption plays a crucial role in numerous applications, including hydrogen storage and purification processes. Understanding the interaction of H with porous materials is essential for designing efficient adsorption systems. In this study, we investigate H adsorption on CHA-zeolite using a combination of density functional theory (DFT) and force field-based molecular dynamics (MD) simulations.

Recent advances in synthesis and characterization of iron-nickel bimetallic nanoparticles and their applications as photo-catalyst and fuel additive.

Iron-nickel bimetallic nanoparticles (Fe-Ni BMNPs) are prepared by combining two different metals by using the bottom-up approach. The resulting material has entirely different properties as compared to both the metals. The product is examined by using different analytical instruments such as.

Ab Initio Calculations of the Interaction Potential of the NO-NO Dimer: Strength of the Intermolecular Interactions and Physical Insights.

NO, or nitrous oxide, is an important greenhouse gas with a significant impact on global warming and climate change. To accurately model the behavior of NO in the atmosphere, precise representations of its intermolecular force fields are required. First principles quantum mechanical calculations followed by appropriate fitting are commonly used to establish such force fields.

Exploring the Adsorption Mechanism of NO on Graphene: A DFT Study on Circum-Coronene for Catalysis, Sensing, and Energy Storage Applications.

We have investigated the adsorption potential of NO (nitrous oxide) over graphene. To do this, we utilized various methods and techniques to calculate the potential of NO over the graphene surface. We performed density functional theory (DFT) calculations for different conformations of NO on the graphene surface, including parallel, N-up, and O-up and random (∼1000) orientations.

Dual Coronary-Pulmonary Artery Fistula in a Patient with Severe Bicuspid Aortic Valve Stenosis.

A 62-year-old male presented to the emergency department with acute viral bronchitis and worsening of his chronic dyspnea on exertion. Incidentally, a murmur was detected on physical examination. Extensive work-up, including coronary computed tomography angiography, revealed a rare combination and potential association between severe bicuspid aortic valve stenosis and coronary-pulmonary artery fistulas.

DOCUMENTATION OF IN CAPTIVE TIGERS AND LIONS IN PUNJAB (2016-2018), PAKISTAN.

is an important hemoparasite of a variety of animal species worldwide. This parasite is a threat to the health of domestic animals as well as wild animals, particularly those managed in captivity. The current study investigated the presence of in captive tigers () and lions () in Pakistan.

A Review of MEMS Vibrating Gyroscopes and Their Reliability Issues in Harsh Environments.

Micro-electromechanical systems (MEMS) vibrating gyroscopes have gained a lot of attention over the last two decades because of their low power consumption, easy integration, and low fabrication cost. The usage of the gyroscope equipped with an inertial measurement unit has increased tremendously, with applications ranging from household devices to smart electronics to military equipment. However, reliability issues are still a concern when operating this inertial sensor in harsh environments, such as to control the movement and alignment of mini-satellites in space, tracking firefighters at an elevated temperature, and assisting aircraft navigation in gusty turbulent air.

Transgenerational evidence of increases in dopamine D2 receptor sensitivity in rodents: Impact on sensorimotor gating, the behavioral response to nicotine and BDNF.

Background/aims: Neonatal quinpirole (NQ) treatment to rats increases dopamine D (DAD) receptor sensitivity in adult animals. We investigated if increased DAD sensitivity would be passed to the next (F1) generation, and if these animals demonstrated sensorimotor gating deficits and enhanced behavioral responses to nicotine.

Methods: Male and female rats were intraperitoneal (IP) administered quinpirole (1 mg/kg) or saline (NS) from postnatal day (P)1-21.

Focus on the role of seed tannins and pectolytic enzymes in the color development of Pinot noir wine.

Maceration techniques which promote the extraction of color pigments and tannin from grapes are often sought in Pinot noir winemaking to optimise color stability; alternatively, exogenous grape tannins may be included during fermentation. To examine the effect of seed-derived tannins and the use of pectolytic enzymes on color development in wines, conventional must preparations of L. cv Pinot noir grapes were compared with wines made using a supplementary addition of either a commercial seed tannin product or previously fermented seeds, while in a complementary experiment, seeds were sequentially removed during fermentation.

The effects of a novel inhibitor of tumor necrosis factor (TNF) alpha on prepulse inhibition and microglial activation in two distinct rodent models of schizophrenia.

Increased neuroinflammation has been shown in individuals diagnosed with schizophrenia (SCHZ). This study evaluated a novel immune modulator (PD2024) that targets the pro-inflammatory cytokine tumor necrosis factor-alpha (TNFα) to alleviate sensorimotor gating deficits and microglial activation employing two different rodent models of SCHZ. In Experiment 1, rats were neonatally treated with saline or the dopamine D-like agonist quinpirole (NQ; 1 mg/kg) from postnatal day (P) 1-21 which produces increases of dopamine D receptor sensitivity throughout the animal's lifetime.

The adenosine A(2A) receptor agonist CGS 21680 alleviates auditory sensorimotor gating deficits and increases in accumbal CREB in rats neonatally treated with quinpirole.

Rationale And Objective: The adenosine A(2A) receptor forms a mutually inhibitory heteromer with the dopamine D receptor, and A(2A) agonists decrease D signaling. This study analyzed whether an adenosine A(2A) agonist would alleviate deficits in sensorimotor gating and increases in cyclic-AMP response element binding protein (CREB) in the nucleus accumbens (NAc) in the neonatal quinpirole model of schizophrenia (SZ).

Methods: Male and female Sprague-Dawley rats were neonatally treated with saline (NS) or quinpirole HCl (NQ; 1 mg/kg) from postnatal days (P) 1-21.

Effects of an adenosine A agonist on the rewarding associative properties of nicotine and neural plasticity in a rodent model of schizophrenia.

Background: Adenosine A receptors form a mutually inhibitory heteromeric complex with dopamine D receptors such that each receptor exhibits lower sensitivity to its agonist after the opposing receptor agonist is bound. This study analyzed the effects of CGS 21680, an adenosine A agonist, on nicotine conditioned place preference (CPP) in adolescence using a rodent model of schizophrenia (SZ).

Methods: Rats were treated from postnatal day (P) 1 to P21 with saline or the dopamine D/D agonist quinpirole (NQ treatment) and raised to P41.

Development and clinical implementation of eclipse scripting-based automated patient-specific collision avoidance software.

Purpose: Increased use of Linac-based stereotactic radiosurgery (SRS), which requires highly noncoplanar gantry trajectories, necessitates the development of efficient and accurate methods of collision detection during the treatment planning process. This work outlines the development and clinical implementation of a patient-specific computed tomography (CT) contour-based solution that utilizes Eclipse Scripting to ensure maximum integration with clinical workflow.

Methods: The collision detection application uses triangle mesh structures of the gantry and couch, in addition to the body contour of the patient taken during CT simulation, to virtually simulate patient treatments.

Anatomical constraints to nonstomatal diffusion conductance and photosynthesis in lycophytes and bryophytes.

Photosynthesis in bryophytes and lycophytes has received less attention than terrestrial plant groups. In particular, few studies have addressed the nonstomatal diffusion conductance to CO g of these plant groups. Their lower photosynthetic rate per leaf mass area at any given nitrogen concentration compared with vascular plants suggested a stronger limitation by CO diffusion.

Ciliary neurotrophic factor is a key sex-specific regulator of depressive-like behavior in mice.

Ciliary neurotrophic factor (CNTF) is produced by astrocytes and promotes neurogenesis and neuroprotection. Little is known about the role of CNTF in affective behavior. We investigated whether CNTF affects depressive- and anxiety-like behavior in adult mice as tested in the forced swim, sucrose preference and elevated-T maze tests.

Effects of Environmental Enrichment on Nicotine Sensitization in Rats Neonatally Treated with Quinpirole: Analyses of Glial Cell Line-Derived Neurotrophic Factor and Implications towards Schizophrenia.

The current study analyzed the effects of environmental enrichment versus isolation housing on the behavioral sensitization to nicotine in the neonatal quinpirole (NQ; dopamine D2-like agonist) model of dopamine D2 receptor supersensitivity, a rodent model of schizophrenia. NQ treatment in rats increases dopamine D2 receptor sensitivity throughout the animal's lifetime, consistent with schizophrenia. Animals were administered NQ (1 mg/kg) or saline (NS) from postnatal day (P)1 to P21, weaned, and immediately placed into enriched housing or isolated in wire cages throughout the experiment.

Unilateral C1 Sagittal Split Fractures: An Unusual Entity Revisited.

Background: An isolated, unilateral fracture of the C1 lateral mass is a rare condition that has been only minimally described in the literature. Historically, these fractures have predominantly been managed conservatively with either external immobilization or traction.

Case Description: We review the literature and present 2 patients that presented after failing conservative management, but demonstrated excellent clinical outcomes after surgical treatment.

Linking Auxin with Photosynthetic Rate via Leaf Venation.

Land plants lose vast quantities of water to the atmosphere during photosynthetic gas exchange. In angiosperms, a complex network of veins irrigates the leaf, and it is widely held that the density and placement of these veins determines maximum leaf hydraulic capacity and thus maximum photosynthetic rate. This theory is largely based on interspecific comparisons and has never been tested using vein mutants to examine the specific impact of leaf vein morphology on plant water relations.

A study of selected factors affecting efficacy of compost tea against several fungal pathogens of potato.

Aim: To investigate selected factors of two nonaerated compost teas (NCT) and mechanisms that influence the restriction of several fungal potato pathogens.

Methods And Results: Two NCTs, made from either commercial compost, (CCT) or vineyard compost (VCT), were tested for their ability to suppress potato pathogens. The VCT was more suppressive than CCT to mycelial growth of Alternaria solani and Rhizoctonia solani isolate 299, but not for R.