bluuebunny/crossref_metadata_2025_split huggingface dataset:
Shape selective alkylation of benzene with methanol over different zeolite catalysts
Authors: Rahman A F A , Jalil A A , Jusoh N W C , Mohamed M , Fatah N A A , Hambali H U 
Published: April 2020

Abstract
Benzene methylation is an important process for removing excess benzene in petrochemical industries to produce value-added products such as toluene and xylene. In this study, the performance of three types of zeolites, which is ZSM-5 (HZ), zeolite Y (HY) and zeolite β (Hβ) were investigated as catalyst in the benzene methylation reaction. The catalysts were characterized by N2 adsorption-desorption and FTIR. The N2 adsorption-desorption verified that the mesopores volume of the catalysts was in the following order: HB > HY > HZ. While, the FTIR-lutidine revealed that the HB possessed the highest amount of Brönsted acid sites followed by HZ and HY. The catalytic testing at 573 K showed that HZ gave good performance in benzene methylation with 55.2% and 22.1% yield of toluene and xylene, respectively. It is suggested that HZ catalyst with moderate amount of Brönsted acid sites and smallest mesopores volume appear to be effective for shape selective synthesis of toluene and xylene. In addition, pore structure of HZ also contributed to the high catalytic activity of benzene methylation.
Dendritic Mesoporous Ni/KCC-1 for Partial Oxidation of Methane to Syngas
Authors: Siang T J , Jalil A A , Hambali H U , Abdulrasheedand A A , Azami M S 
Published: April 2020

Abstract
Depletion of fossil fuel for global energy system and increasing concern on global warming have driven the exploration of alternative and sustainable energy source in realms of academia and industry. This study aims to investigate the physicochemical features of KAUST Catalysis Center-1 supported catalyst (i.e., Ni/KCC-1) and evaluate its catalytic performance for Partial Oxidation of Methane (POM) reaction. N2 physisorption and XRD analyses confirmed the structural integrity of KCC-1 framework after NiO addition while the growth of Si–O–Ni bonds in KCC-1 structure was corroborated by the FTIR results. The FESEM and TEM images for KCC-1 not only affirm the successful formation of bicontinuous lamellar morphology but also reveal that the three-dimensional spherical structure was originally developed from the centre of microsphere into all axial. The combustion-reforming pathway was determined during reaction run and the H2/CO ratio ranging of 1.48 to 2.14 was appropriate for synthetic fuel production via Fischer-Tropsch synthesis (FTS).
Bayesian Analysis for Assessing Risks of Rotating Equipment and Its Financial Loss
Authors: Oktarinanda Rifky , Norazahar Norafneeza 
Published: April 2020

Abstract
The petrochemical industry is equipped with major and rotating equipment, such as storage tanks and pumps, to produce the required outputs. The equipment could pose a high level of risks should the organization failed to provide control and mitigation measures. Risk analysis is a conventional and practical technique in identifying hazards and assessing risks associated with equipment. The risk analysis can be integrated with the Bayes’s theorem to assess risks of major and rotating equipment. Therefore, this paper presents the use of Bayesian analysis for assessing risks of rotating equipment and its financial loss, specifically in the petrochemical industry. The study begins with developing a cause-and-effect relationship using a Bayesian network. The probability of failure of equipment and its financial loss can be analyzed based on the Bayesian network. The cause-and-effect relationship could also reveal human factors contributing to the probability of failure of equipment. This paper focuses on an accident involving pumps during maintenance activity in the petrochemical plant. The human factors issues contributing to the accident and the financial loss are inadequate procedures and poor work processes.
A Community-Based Emergency Response Management in Pasir Gudang, Johor: Theoretical Framework
Authors: Ahmad Noor Afzan , Kidam Kamarizan , Mohsin Rahmat 
Published: April 2020

AbstractCommunity-based emergency response management refers to a collaborative planning and engagement approach, which is designed to support communities and organizations in developing a safer, more resilient and sustainable future. That being mentioned, this study looked into the theoretical bases and practices in light of emergency response, apart from determining the functions of the community in line with emergency response. The primary goal of this study is to build a theoretical framework that enhances the functions of the community in times of emergency response. The mixed-method approach was adopted for data collection. The qualitative approach via interviews had been performed with organization and industry experts in Pasir Gudang, while the quantitative method was employed for the residents in Pasir Gudang. The theoretical framework embeds six elements of emergency response for the community to improve its emergency management. The identified community-based functions seemed to lack in activities, action, function, technique, knowledge, and skill. The proposed theoretical framework is bound to aid the management to comprehend the essence of community-based emergency response and to implement viable strategies in times of emergency.
The Verification result of Permit to Work Assessment in Occupational Accident using Fault Tree Analysis
Authors: Jusoh Nizar , Ali Mohamad Wijayanuddin , Tuan Abdullah Tuan Amran , Husain Alias 
Published: April 2020

Abstract
The objective of this paper is to elaborate and verified the results of the Permit To Work assessment that has been conducted using the Structural Equation Model (SEM) with Fault Tree Analysis (FTA) technique. The author used the Fault Tree Analysis to verify the result of five PTW elements i.e. Hazardous Activity, Worksite Inspection, Supporting Document, Work Description and Close Out. As it is known, the FTA is used to find the probability and cause of an accident or “Top Event”. FTA is a relatively well-known technique used to find the probability of system failure. After the analysis using FTA technique, it was found that all the results of SEM and FTA gives the similar rank to Occupational Accident which is indicated that the result is correct and acceptable for this study. This is Part II of two paper, focusing on PTW Assessment result validation using Fault Tree Analysis.
Effect of monoethanolamine concentration on CO2 capture by poly (chloromethyl styrene) grafted fibrous adsorbent
Authors: Mohamad N A , Zubair N A , Lotf E A , Nasef M M , Ahmad A , Ali R R , Abdullah T A T , Ting T M 
Published: April 2020

Abstract
The CO2 adsorption performance of poly (chloromethyl styrene) (PCMS) grafted on polyethylene coated polypropylene (PE/PP) fibrous polymer substrate and followed by amination with monoethanolamine (MEA) was investigated using gravimetric sorption system. The chemical, structural and morphological changes in the aminated adsorbents were evaluated using Fourier transform infrared spectroscopy (FTIR) and X-ray diffraction (XRD), respectively. The amination was carried out using three different compositions of MEA (50, 80 and 100%) diluted in water to optimize the yield of loaded amine. The highest percent of amination obtained was about 71% and the amine content increase with the rise in MEA concentration. The CO2 adsorption capacity increase with MEA concentration with the highest capacity recorded was1.63 mmol/g with pure CO2 gas at 30 bars and room temperature.
A rapid analysis platform for investigating the cellular locations of bacteria using two-photon fluorescence lifetime imaging microscopy
Authors: Sapermsap Natakorn , Li David Day-Uei , Al-Hemedawi Ryath , Li Yahui , Yu Jun , Birch David JS , Chen Yu 
Published: April 2020

Abstract
Facultative intracellular pathogens are able to live inside and outside host cells. It is highly desirable to differentiate their cellular locations for the purposes of fundamental research and clinical applications. In this work, we developed a novel analysis platform that allows users to choose two analysis models: amplitude weighted lifetime (τ
A) and intensity weighted lifetime (τ
I) for fluorescence lifetime imaging microscopy (FLIM). We applied these two models to analyse FLIM images of mouse Raw macrophage cells that were infected with bacteria Shigella Sonnei, adherent and invasive E. coli (AIEC) and Lactobacillus. The results show that the fluorescence lifetimes of bacteria depend on their cellular locations. The τ
A model is superior in visually differentiating bacteria that are in extra- and intra-cellular and membrane-bounded locations, whereas the τ
I model show excellent precision. Both models show speedy performances that analysis can be performed within 0.3 s. We also compared the proposed models with a widely used commercial software tool (τ
C, SPC Image, Becker & Hickl GmbH), showing similar τ
I and τ
C results. The platform also allows users to perform phasor analysis with great flexibility to pinpoint the regions of interest from lifetime images as well as phasor plots. This platform holds the disruptive potential of replacing z-stack imaging for identifying intracellular bacteria.
Biomass derived carbon aerogel as an ultrastable skeleton of form-stable phase change materials for efficient thermal energy storage
Authors: Zou Zhiqiang , Wu Wei , Wang Yi , Drummer Dietmar 
Published: April 2020

Abstract
Direct conversion of biomass to carbon aerogel provides a promising approach to developing supporting material for phase change materials (PCMs). In present work, carrot and pumpkin derived carbon aerogels (CCA and PCA) were fabricated via a hydrothermal and post-sintering process. N2 adsorption-desorption isotherms were used to evaluate the specific surface area and pore distribution of the carbon aerogels. It showed that the carrot carbon aerogel sintered at 800 °C (CCA800) possessed a specific surface area of 33.80 m2·g−1, which is separately 168%, 165%, and 287% higher than that of carrot carbon aerogel sintered at 1000 °C (CCA1000, 12.59 m2·g−1), pumpkin carbon aerogel sintered at 800 °C (PCA800, 12.77 m2·g−1), and pumpkin carbon aerogel sintered at 1000 °C (PCA1000, 8.74 m2·g−1). Owing to its porosity, the carbon aerogels with a high loading content of palmitic acid (PA)/thiol-ene resin (TE) composite as a PCM without leakage. A thermal conductivity enhancement of 60.5% was achieved by 50PA/TE@PCA1000 compared with 50PA/TE, and DSC result showed its latent heat of 88.26 J/g. The excellent properties of PCMs composites lead to a promising application foreground.
Nuclear dynamics in BaZr0.7Ce0.2Y0.1O3−δ proton conductor as observed by neutron diffraction and Compton scattering
Authors: Wallis Jan , Kruth Angela , da Silva Ivan , Krzystyniak Matthew 
Published: April 2020

Abstract
Concurrent neutron Compton scattering (NCS) and neutron diffraction experiments at temperatures between 70 K and 300 K have been performed on proton-conducting hydrated BaZr0.7Ce0.2Y0.1O3−δ
(BZCY72) fabricated by spark plasma sintering. A combined neutron data analysis, augmented with density functional theory modelling of lattice dynamics, has enabled, for the first time, a mass-selective appraisal of the combined thermal and nuclear quantum effect on nuclear dynamics and thermodynamic stability of this technologically important proton conducting perovskite oxide. The analysis suggests that the nuclear dynamics in hydrated BZCY72 is a result of a subtle interplay of harmonic, anharmonic and thermal effects, with the increased anharmonic character of the lattice dynamics above the orthorhombic to rhombohedral phase transition at 85 K. The anharmonic effect seems to be most pronounced in the case of oxygen and cerium. The analysis of the proton momentum distribution reveals that the concentration of the hydrogen in the BZCY72 lattice is constant across the orthorhombic to rhombohedral phase transition and further down to the room temperature. Moreover, the average hydrogen concentration obtained from our analysis of the mass-resolved neutron Compton scattering data seems to be commensurate with the total vacancy concentration in the BZCY72 framework. The calculation of the vibrational enthalpy of both phases allows obtaining the value of the enthalpy of the orthorhombic to the rhombohedral phase transition of −3.1 ± 1 kJ mol−1. Finally, our analysis of the nuclear kinetic energy of the proton obtained from NCS and the oxygen-oxygen distance distributions obtained from ND allows to conclude that BZCY72 in both the orthorhombic and rhombohedral phase at 70 K and 100 K respectively falls into the category of the KDP-type crystals where proton is probably under the influence of a double-well potential and forms hydrogen bonds of moderate strength. The obtained results have important ramifications for this technological important material.
Synthesis of hexagonal boron nitride 2D layers using polymer derived ceramics route and derivatives
Authors: Matsoso Boitumelo , Hao Wenjun , Li Yangdi , Vuillet-a-Ciles Victor , Garnier Vincent , Steyer Philippe , Toury Bérangère , Marichy Catherine , Journet Catherine 
Published: April 2020

Abstract
Hexagonal boron nitride (h-BN) is nowadays an increasingly attractive material, especially for two-dimensional material applications, due to its intrisic properties. However, its properties are highly dependent on the used synthesis approach. The polymer derived ceramics (PDCs) route allows elaboration of h-BN with tailored textural and structural properties. Here, we demonstrate the interest of the PDCs pathway for the synthesis of h-BN. Growth of h-BN single crystals with crystal sizes of a few microns at relatively low temperature and atmospheric pressure is successfully achieved from borazine precursor using PDCs. The crystallization is improved by additivation of 5 wt% of Li3N to the pre-ceramic polymer. Furthermore, by coupling PDCs with gas pressure sintering, starting from the same pre-ceramic polymer and 25 wt% of Li3N, the crystal size is enlarged up to hundreds of microns. The fabricated single crystals of pure h-BN can then be exfoliated into h-BN nanosheets. Finally, by combining PDCs with atomic layer deposition, functional BN nano-/hetero-structures are successfully synthesized from highly structured sensitive templates, making this ALD process a promising alternative for fabricating functional BN nanostructures.
Current state of opioid stewardship
Authors: Ardeljan L Diana , Waldfogel Julie M , Bicket Mark C , Hunsberger Joann B , Vecchione Tricia Marie , Arwood Nicole , Eid Ahmed , Hatfield Laura A , McNamara LeAnn , Duncan Rosemary , Nesbit Todd , Smith Jacob , Tran Jackie , Nesbit Suzanne A 
Published: April 2020

Abstract

Purpose
The opioid epidemic continues to result in significant morbidity and mortality even within hospitals where opioids are the second most common cause of adverse events. Opioid stewardship represents one model for hospitals to promote safe and rational prescribing of opioids to mitigate preventable adverse events in alliance with new Joint Commission standards. The purpose of this study was to identify the prevalence of current hospital practices to improve opioid use.

Methods
A cross-sectional survey of hospital best practices for opioid use was electronically distributed via electronic listservs in March 2018 to examine the presence of an opioid stewardship program and related practices, including formulary restrictions, specialist involvement for high-risk patients, types of risk factors screened, and educational activities.

Results
Among 133 included hospitals, 23% reported a stewardship program and 14% reported a prospective screening process to identify patients at high risk of opioid-related adverse events (ORAEs). Among those with a prospective screening process, there was variability in ORAE risk factor screening. Formulary restrictions were dependent on specific opioids and formulations. Patient-controlled analgesia was restricted at 45% of hospitals. Most hospitals reported having a pain management service (90%) and a palliative care service providing pain management (67%).

Conclusion
The absence of opioid stewardship and prospectively screening ORAEs represents a gap in current practice at surveyed hospitals. Hospitals have an opportunity to implement and refine best practices such as access to pain management specialists, use of formulary restrictions, and retrospective and prospective monitoring of adverse events to improve opioid use.
Pharmacokinetics of flucytosine in a critically ill patient on continuous venovenous hemodiafiltration
Authors: Greene Rebecca A , Adams Kathleen K , Rogers Ralph D , Berard-Collins Christine , Lorenzo Michael P 
Published: April 2020

Abstract

Purpose
To describe the pharmacokinetics of flucytosine in a critically ill patient undergoing continuous venovenous hemodiafiltration (CVVHDF) treated for cryptococcal meningitis.

Summary
A 20-year-old female weighing 93.4 kg with a body mass index of 34.3 kg/m2 with a past medical history of systemic lupus erythematous with diffuse proliferative lupus nephritis (class IV) was admitted to the hospital after several months of worsening dyspnea, fatigue, myalgia, vomiting, and diarrhea. The patient developed worsening renal function and volume overload requiring CVVHDF on hospital day 7. She was diagnosed with cryptococcal meningitis on hospital day 8, and flucytosine 2,500 mg enterally every 12 hours and liposomal amphotericin B 500 mg intravenously every 24 hours were initiated. Flucytosine serum concentrations were collected on day 4 of therapy, and pharmacokinetics were performed on 2 sequential levels. Pharmacokinetic calculations displayed an elimination rate constant of 0.0338 h-1, a volume of distribution between 0.42 and 0.43 L/kg, a half-life of 20.5 hours, and a total drug clearance between 1.32 and 1.36 L/h while on CVVHDF. The nonsequential levels displayed good correlation, and no further monitoring or dosage adjustment was required. The patient completed therapy, with clinical resolution of her infection, and no toxicities due to flucytosine were noted.

Conclusion
Flucytosine dosed at 25 mg/kg of actual body weight every 12 hours during CVVHDF conferred therapeutic levels with no appreciable toxicities. Because of its narrow therapeutic index and risk of toxicity, additional pharmacokinetic studies are needed to determine optimal drug dosing of this medication in patients requiring renal replacement therapy.
MaveQuest: a web resource for planning experimental tests of human variant effects
Authors: Kuang Da , Weile Jochen , Li Roujia , Ouellette Tom W , Barber Jarry A , Roth Frederick P 
Published: April 2020

Abstract

Summary
Fully realizing the promise of personalized medicine will require rapid and accurate classification of pathogenic human variation. Multiplexed assays of variant effect (MAVEs) can experimentally test nearly all possible variants in selected gene targets. Planning a MAVE study involves identifying target genes with clinical impact, and identifying scalable functional assays for that target. Here, we describe MaveQuest, a web-based resource enabling systematic variant effect mapping studies by identifying potential functional assays, disease phenotypes and clinical relevance for nearly all human protein-coding genes.

Availability and implementation
MaveQuest service: https://mavequest.varianteffect.org/. MaveQuest source code: https://github.com/kvnkuang/mavequest-front-end/.

Supplementary information
Supplementary data are available at Bioinformatics online.
FASPR: an open-source tool for fast and accurate protein side-chain packing
Authors: Huang Xiaoqiang , Pearce Robin , Zhang Yang 
Published: April 2020

Abstract

Motivation
Protein structure and function are essentially determined by how the side-chain atoms interact with each other. Thus, accurate protein side-chain packing (PSCP) is a critical step toward protein structure prediction and protein design. Despite the importance of the problem, however, the accuracy and speed of current PSCP programs are still not satisfactory.

Results
We present FASPR for fast and accurate PSCP by using an optimized scoring function in combination with a deterministic searching algorithm. The performance of FASPR was compared with four state-of-the-art PSCP methods (CISRR, RASP, SCATD and SCWRL4) on both native and non-native protein backbones. For the assessment on native backbones, FASPR achieved a good performance by correctly predicting 69.1% of all the side-chain dihedral angles using a stringent tolerance criterion of 20°, compared favorably with SCWRL4, CISRR, RASP and SCATD which successfully predicted 68.8%, 68.6%, 67.8% and 61.7%, respectively. Additionally, FASPR achieved the highest speed for packing the 379 test protein structures in only 34.3 s, which was significantly faster than the control methods. For the assessment on non-native backbones, FASPR showed an equivalent or better performance on I-TASSER predicted backbones and the backbones perturbed from experimental structures. Detailed analyses showed that the major advantage of FASPR lies in the optimal combination of the dead-end elimination and tree decomposition with a well optimized scoring function, which makes FASPR of practical use for both protein structure modeling and protein design studies.

Availability and implementation
The web server, source code and datasets are freely available at https://zhanglab.ccmb.med.umich.edu/FASPR and https://github.com/tommyhuangthu/FASPR.

Supplementary information
Supplementary data are available at Bioinformatics online.
Prevalence and associated predictors for patients developing chronic neuropathic pain following burns
Authors: Klifto Kevin M , Dellon A Lee , Hultman C Scott 
Published: April 2020

AbstractBackgroundChronic pain, unrelated to the burn itself, can manifest as a long-term complication in patients sustaining burn injuries. The purpose of this study was to determine the prevalence of chronic neuropathic pain (CNP) and compare burn characteristics between patients who developed CNP and patients without CNP who were treated at a burn center.MethodsA single-center, retrospective analysis of 1880 patients admitted to the adult burn center was performed from 1 January 2014 to 1 January 2019. Patients included were over the age of 15 years, sustained a burn injury and were admitted to the burn center. CNP was diagnosed clinically following burn injury. Patients were excluded from the definition of CNP if their pain was due to an underlying illness or medication. Comparisons between patients admitted to the burn center with no pain and patients admitted to the burn center who developed CNP were performed.ResultsOne hundred and thirteen of the 1880 burn patients developed CNP as a direct result of burn injury over 5 years with a prevalence of 6.01%. Patients who developed CNP were a significantly older median age (54 years vs. 46 years, p = 0.002), abused alcohol (29% vs. 8%, p &lt; 0.001),abused substances (31% vs. 9%, p &lt; 0.001), were current daily smokers (73% vs. 33%, p &lt; 0.001), suffered more full-thickness burns (58% vs. 43%, p &lt; 0.001), greater median percent of total body surface area (%TBSA) burns (6 vs. 3.5, p &lt; 0.001), were more often intubated on mechanical ventilation (33% vs. 14%, p &lt; 0.001), greater median number of surgeries (2 vs. 0, p &lt; 0.001) and longer median hospital length of stay (LOS) (10 days vs. 3 days, p &lt; 0.001), compared to those who did not develop CNP, respectively. Median patient follow-up was 27 months.ConclusionsThe prevalence of CNP over 5 years was 6.01% in the burn center. Older ages, alcohol abuse, substance abuse, current daily smoking, greater percent of total body surface area (%TBSA) burns, third degree burns, being intubated on mechanical ventilation, having more surgeries and longer hospital LOS were associated with developing CNP following burn injury, compared to patients who did not develop CNP following burn injury.