bluuebunny/crossref_metadata_2025 huggingface dataset:
A computer Aided Sustainable Modelling and Optimization Analysis of CNC Milling and Turning Processes
Authors: Singh Karmjit , Sultan Ibrahim
Published: August 2018

The system design for Sustainable manufacturing is to consider both ecological and financial constraints. Manufacturing industry demands to advance in sustainable manufacturing by accounting in environment factors in it. All the factors that affect the environment need to be analyzed so that proper amendments or suggestions can be provided. To favour this, Computer aided life cycle inventory model has been presented for CNC milling and turning processes. Based on utilization of resources and stages, whole machining operation time can be divided into three phases named as process (milling or turning), idle and basic times. As parameters are different for evaluating the process times i.e. depth and width of cut in case of milling and initial and final diameters for turning, two different case studies has been presented one for each milling and turning process. Effect of material choice has been studied for different processes. Highly dense and hard materials takes more time in finishing the job due to low cutting speed and feed rates as compared to that of sot materials. In addition, face milling takes more time and consumes more power as compared to peripheral milling due to more retraction time caused by over travel distance and lower vertical transverse speeds than the horizontal transverse speed used in peripheral retraction process.
Quality Control of Solar Radiation Data within the South African Weather Service Solar Radiometric Network
Authors: Ntsangwane Lucky , Sivakumar Venkataraman , Mabasa Brighton , Zwane Nosipho , Ncongwane Katlego , Botai Joel
Published: August 2018

Quality control (QC) may be a lengthy and tedious process. As a result, most data users use data from meteorological services without performing data quality checks. The South African Weather Service (SAWS) re-established the national solar radiometric network comprising of 13 new stations within the six climatic zones of the country. This study reports on the performance results of the Baseline Surface Radiation Network (BSRN) QC procedures applied to the solar radiation data within the SAWS radiometric network. The overall percentage performance of the SAWS solar radiation network based on BSRN QC methodology is 97.79%, 93.64%, 91.6% and 92.23% for Long Wave Downward Irradiance (LWD), Global Horizontal Irradiance (GHI), Diffuse Horizontal Irradiance (DHI) and Direct Normal Irradiance (DNI) respectively with operational problems largely dominating the percentage of bad data. The overall average performance of the Surface Solar Radiation Dataset – Heliosat (SARAH) data records for the GHI estimation for all the stations showed a Mean Bias Deviation (MBD) of -8.28 Wm-2, a Mean Absolute Deviation (MAD) of 9.06 Wm-2 and the Root Mean Square Deviation (RMSD) of 11.02 Wm-2. The correlation (quantified by R2) between ground-based and SARAH-derived GHI time series was ~ 0.98. The established network has the potential of providing high quality minute solar radiation data sets (GHI, DHI, DNI and LWD) and auxiliary hourly meteorological parameters vital for scientific and practical applications in renewable energy technologies in South Africa.
A Theoretical Model to Explain the Symptoms and Progression of Schizophrenia
Authors: Overholt Michael
Published: August 2018

Through the use of a simplified model of consciousness this paper illustrates the symptoms of schizophrenia linked to neocortical structures and functions.  It makes the case that the bewildering and varied presentation of symptoms in schizophrenia can be analyzed and explained using such models.  The model is used to illustrate the central thesis of the paper, that schizophrenia is a disorder of neurogenesis which leads to progressive neurochemical, functional and neurophysiological changes that create the characteristic behaviors of the disease.
Public Health Surveillance for Zika Virus: Data Interpretation and Report Validity
Authors: Piltch-Loeb Rachael , Kraemer John , Lin Kenneth W. , Stoto Michael A.
Published: August 2018

Zika virus provides an example for which public health surveillance is based primarily on health care provider notifications to health departments of potential cases. This case-based surveillance is commonly used to understand the spread of disease in a population.

However, case-based surveillance is often biased—whether testing is done and which tests are used and the accuracy of the results depend on a variety of factors including test availability, patient demand, perceptions of transmission, and patient and provider awareness, leading to surveillance artifacts that can provide misleading information on the spread of a disease in a population and have significant public health practice implications.

To better understand this challenge, we first summarize the process that health departments use to generate surveillance reports, then describe factors influencing testing and reporting patterns at the patient, provider, and contextual level. We then describe public health activities, including active surveillance, that influence both patient and provider behavior as well as surveillance reports, and conclude with a discussion about the interpretation of surveillance data and approaches that could improve the validity of surveillance reports.
Longitudinal Decline in Cardiorespiratory Fitness With Age Among Male Firefighters in San Diego, California, 2005–2015
Authors: Cameron Natalie Avella , Shen Jian , Rusk Kathleen , Parker Richard , Godino Job G. , Nichols Jeanne F.
Published: August 2018

Objectives. To determine age-associated changes in cardiorespiratory fitness (CRF) among firefighters.

Methods. Male firefighters (n = 1169) underwent annual evaluations from 2005 to 2015 in San Diego, California. We assessed CRF, the ability to deliver and use oxygen, during a maximal graded exercise test and recorded it in metabolic equivalents (METs; 1 MET = 3.5 ml/kg/min). We investigated differences in baseline CRF among 10-year age groups and patterns of change over follow-up using cross-sectional and longitudinal analyses, respectively.

Results. Both analyses support an inverse relationship between CRF and age. Mean baseline CRF decreased from 15.7 ±1.7 to 11.7 ±1.9 METs in the younger than 30 years and 50 years and older age groups, respectively. There was no interaction between body fat and age in predicting CRF (Page × body fat = .09). Longitudinally, there was a nonlinear decrease in CRF, which differed across age groups: the youngest age group demonstrated the greatest decrease in CRF.

Conclusions. Results support a negative, nonlinear association between age and CRF without modification by body fatness.

Public Health Implications. Fire departments should recognize the health and safety risks of declining CRF and institutionalize programs to promote firefighter fitness.
HIV Preexposure Prophylaxis Initiation at a Large Community Clinic: Differences Between Eligibility, Awareness, and Uptake
Authors: Shover Chelsea L. , Javanbakht Marjan , Shoptaw Steven , Bolan Robert K. , Lee Sung-Jae , Parsons Jeffrey T. , Rendina Jonathon , Gorbach Pamina M.
Published: August 2018

Objectives. To characterize uptake of HIV preexposure prophylaxis (PrEP) in a community setting and to identify disparities in PrEP use by demographic and behavioral factors associated with increased HIV risk.

Methods. We conducted a cross-sectional study of 19 587 men who have sex with men and transgender people visiting a Los Angeles, California, clinic specializing in lesbian, gay, bisexual, and transgender care between August 2015 and February 2018 by using clinical care data.

Results. Seventy percent of patients met PrEP eligibility criteria, while 10% reported PrEP use. Using sex drugs, reporting both condomless anal intercourse and recent sexually transmitted infection, older age, and higher education level were associated with higher odds of PrEP use given eligibility. Latino or Asian race/ethnicity and bisexual orientation were associated with lower odds of PrEP use given eligibility. Higher odds of perceived need were associated with demographic risk factors but PrEP use was not similarly elevated.

Conclusions. Discrepancies between PrEP eligibility, perceived need, and use reveal opportunities to improve PrEP delivery in community settings.

Public Health Implications. Efforts are needed to facilitate PrEP uptake in populations with highest HIV incidence.
Hip Arthroscopy for Femoroacetabular Impingement
Authors: Sonnenfeld Julian J. , Trofa David P. , Mehta Manish P. , Steinl Gabrielle , Lynch T. Sean
Published: August 2018

Background:

The first recorded attempt at arthroscopic visualization of the hip can be attributed to Dr. Michael Burman in 1931. Since then, hip arthroscopy has become widely used for the management of femoroacetabular impingement (FAI) because of its clear benefits, including a low complication rate and limited patient morbidity as compared with traditional open approaches.

Description:

Arthroscopic management of FAI begins with arthroscopy of the central compartment, where the intra-articular damage is identified. Standard portal placement provides optimal access for surveying and accessing intra-articular injury. The pathological findings identified preoperatively and confirmed during diagnostic arthroscopy dictate the necessary arthroscopic procedures. Correction of acetabular overcoverage and repair of the labrum to the acetabular rim can correct pincer lesions. Femoral-sided cam lesions require removal of traction and application of hip flexion in order to perform a femoral osteoplasty to recreate a normal anatomic femoral head-neck offset. Finally, capsular management is performed as clinically indicated.

Alternatives:

Appropriate management of FAI typically begins with nonoperative care consisting of rest, nonsteroidal anti-inflammatory drugs (NSAIDs), activity modification, and physical therapy
1
. Intra-articular corticosteroid injections can also provide relief
2
. Open procedures involving surgical hip dislocation can be utilized to address pathological conditions not accessible arthroscopically. Additionally, a “mini-open” procedure in which intra-articular disorders are treated arthroscopically and cam lesions are resected via a small anterior exposure can be employed
3,4
.

Rationale:

Hip arthroscopy offers a minimally invasive technique that can be effective for treating intra-articular hip disorders and is usually favored over open surgical dislocation. Hip arthroscopy has been shown to result in higher functional outcome scores than open procedures, with lower rates of complications
5
. Hip arthroscopy is playing an increasingly important role as an adjunct diagnostic and therapeutic tool in conjunction with open femoral and/or periacetabular osteotomy for complex hip deformities.
Nitrifying and Denitrifying Bacterial Communities in Advanced Nitrogen‐Removal Onsite Wastewater Treatment Systems
Authors: Wigginton Sara , Brannon Elizabeth , Kearns Patrick J. , Lancellotti Brittany , Cox Alissa , Loomis George W. , Amador Jose A.
Published: August 2018

Advanced N‐removal onsite wastewater treatment systems (OWTS) rely on nitrification and denitrification to remove N from wastewater. Despite their use to reduce N contamination, we know little about microbial communities controlling N removal in these systems. We used quantitative polymerase chain reaction and high‐throughput sequencing targeting nitrous oxide reductase (nosZ) and bacterial ammonia monooxygenase (amoA) to determine the size, structure, and composition of communities containing these genes. We analyzed water samples from three advanced N‐removal technologies in 38 systems in five towns in Rhode Island in August 2016, and in nine systems from one town in June, August, and October 2016. Abundance of nosZ ranged from 9.1 × 103 to 9 × 108 copies L−1 and differed among technologies and over time, whereas bacterial amoA abundance ranged from 0 to 1.9 × 107 copies L−1 and was not different among technologies or over time. Richness and diversity of nosZ—but not amoA—differed over time, with median Shannon diversity indices ranging from 2.61 in October to 4.53 in August. We observed weak community similarity patterns driven by geography and technology in nosZ. The most abundant nosZ‐ and amoA‐containing bacteria were associated with water distribution and municipal wastewater treatment plants, such as Nitrosomonas and Thauera species. Our results show that nosZ communities in N‐removal OWTS technologies differ slightly in terms of size and diversity as a function of time, but not geography, whereas amoA communities are similar across time, technology, and geography. Furthermore, community composition appears to be stable across technologies, geography, and time for amoA.

Core Ideas

We describe N‐cycling bacterial communities in advanced N‐removal septic systems.

Geographic factors are weak drivers of community composition in nosZ.

Technology design is a weak driver of community composition in nosZ.

Community composition of amoA is similar across time, space, and among technologies

Time drives differences in nosZ—but not amoA—diversity and abundance.
A New Simulation Framework for Soil–Root Interaction, Evaporation, Root Growth, and Solute Transport
Authors: Koch Timo , Heck Katharina , Schröder Natalie , Class Holger , Helmig Rainer
Published: August 2018

Core Ideas

We present a locally mass‐conservative flow, transport, and root–soil interaction model.

We include a sustainable, flexible research software framework for plant‐scale model development.

This is an improved model concept for fluid dynamic processes, evaporation, root water uptake.

We have developed a general model concept and a flexible software framework for the description of plant‐scale soil–root interaction processes including the essential fluid mechanical processes in the vadose zone. The model was developed in the framework of non‐isothermal, multiphase, multicomponent flow and transport in porous media. The software is an extension of the open‐source porous media flow and transport simulator DuMux to embedded mixed‐dimensional coupled schemes. Our coupling concept allows us to describe all processes in a strongly coupled form and adapt the complexity of the governing equations in favor of either accuracy or computational efficiency. We have developed the necessary numerical tools to solve the strongly coupled nonlinear partial differential equation systems that arise with a locally mass conservative numerical scheme even in the context of evolving root architectures. We demonstrate the model concept and its features, discussing a virtual hydraulic lift experiment including evaporation, root tracer uptake on a locally refined grid, the simultaneous simulation of root growth and root water uptake, and an irrigation scenario comparing different models for flow in unsaturated soil. We have analyzed the impact of evaporation from soil on the soil water distribution around a single plant's root system. Moreover, we have shown that locally refined grids around the root system increase computational efficiency while maintaining accuracy. Finally, we demonstrate that the assumptions behind the Richards equation may be violated under certain conditions.
Organodiselenides: Organic Catalysis and Drug Design Learning from Glutathione Peroxidase
Authors: Tiezza Marco Dalla , Ribaudo Giovanni , Orian Laura
Published: August 2018

Organodiselenides are an important class of compounds characterized by the
presence of two adjacent covalently bonded selenium nuclei. Among them,
diaryldiselenides and their parent compound diphenyl diselenide attract continuing interest
in chemistry as well as in close disciplines like medicinal chemistry, pharmacology and
biochemistry. A search in SCOPUS database has revealed that in the last three years 105
papers have been published on the archetypal diphenyl diselenide and its use in organic
catalysis and drug tests. The reactivity of the Se-Se bond and the redox properties of selenium
make diselenides efficient catalysts for numerous organic reactions, such as Bayer-
Villiger oxidations of aldehydes/ketones, epoxidations of alkenes, oxidations of alcohols
and nitrogen containing compounds. In addition, organodiselenides might find application
as mimics of glutathione peroxidase (GPx), a family of enzymes, which, besides performing other functions,
regulate the peroxide tone in the cells and control the oxidative stress level. In this review, the essential synthetic
and reactivity aspects of organoselenides are collected and rationalized using the results of accurate
computational studies, which have been carried out mainly in the last two decades. The results obtained in
silico provide a clear explanation of the anti-oxidant activity of organodiselenides and more in general of their
ability to reduce hydroperoxides. At the same time, they are useful to gain insight into some aspects of the enzymatic
activity of the GPx, inspiring novel elements for rational catalyst and drug design.
Synthesis and Evaluation of Some Novel Pregnane Derivatives as Anti-Hyperlipidemic and Anti-Oxidant Agents
Authors: Sethi Arun , Bhatia Akriti , Singh Ranvijay Pratap , Srivastava Atul
Published: August 2018

In the present paper, synthesis of few novel pregnane derivatives and their evaluation as potential
anti-hyperlipidemic and anti-oxidant agents has been reported. The synthesis of 3β-hydroxy-
16α-methoxy pregn-5-en-20-one (4) was achieved by reaction of 3β-hydroxy-5,16-pregnadiene-20-one
(3) with KOH/MeOH under reflux. Compound 4 on treatment with succinic and phthalic anhydride afforded
compound 6 and 7, respectively. The reaction of the C-20-oxime-pregnadiene (8) with 1,5-
dibromohexane yielded 20-(O-6-bromo hexyl)-oximino-3β-hydroxy-pregn-5, 16-diene (9). A novel
heterocyclic derivative 3β-hydroxy-androst-5-en [17,16-c]-2′-methyl-7′ bromo-3′,4′-dihydro quinoline
(16) was synthesized by reaction of 3 with 3-bromoaniline. However, attempted synthesis of other heterocyclic
derivatives by reaction of (3) with other halogenated amine led to Aza-Michael addition
products (10-14). The synthesized compounds were also evaluated for their anti-hyperlipidemic and
anti-oxidant activities. Compounds 6 and 14 were found to exhibit more lipid lowering and antioxidant
activities in comparison to other compounds.
Mechanochemical Synthesis, in vitro Evaluation and Molecular Docking Studies of 4-Amino-2-arylamino-5-(benzofuran-2-oyl)thiazoles as Antidiabetic Agents
Authors: Akhila Vijayan R. , Priya Maheswari R. , Sherin Daisy R. , Krishnapriya Girija K. , Keerthi Sreerekha V. , Manojkumar Thanathu K. , Rajasekharan Kallikat N.
Published: August 2018

The synthesis of 4-amino-2-arylamino-5-(benzofuran-2-oyl)thiazoles 4a-h, as example of
2,4-diaminothiazole-benzofuran hybrids and an evaluation of their antidiabetic activity, by in vitro and
computational methods, are reported. The synthesis of these diaminothiazoles was achieved mechano
chemically by a rapid solvent-less method. Their antidiabetic activity was assessed by α-glucosidase
and α-amylase inhibition assays. The, IC50 value for α-glucosidase inhibition by 4-amino-5-
(benzofuran-2-oyl)-2-(4-methoxyphenylamino)thiazole (4d) was found to be 20.04 µM and the IC50
value for α-amylase inhibition, 195.03 µM, whereas the corresponding values for reference acarbose
were 53.38 µM and 502.03 µM, respectively. Molecular docking studies at the active sites of α-
glucosidase and α-amylase showed that among the diaminothiazoles 4a-h now studied, 4-amino-5-
(benzofuran-2-oyl)-2-(4-methoxyphenylamino)thiazole (4d) has the highest D-scores of -8.63 and
-8.08 for α-glucosidase and for α-amylase, with binding energies -47.76 and -19.73 kcal/mol, respectively.
Hydrotalcites in Organic Synthesis: Multicomponent Reactions
Authors: Nope Eliana , Sathicq Gabriel , Martinez José , Rojas Hugo , Luque Rafael , Romanelli Gustavo
Published: August 2018

Background:

The use of solid bases as heterogeneous catalysts allows the replacement of conventional
bases in Organic Chemistry, being of outmost importance. Lamellar double hydroxides or hydrotalcites
are materials having excellent basic properties and high surface areas. As their surface properties have been
used as bifunctional catalysts allowing the incorporation of metals and depending on the calcination temperature,
these materials may exhibit Lewis or Brönsted basic sites. Additionally, they are widely used in various
organic synthesis reactions.

Objective:

This contribution has been aimed to provide a compilation of the application of hydrotalcites as basic
materials in organic synthesis, with a particular emphasis on multicomponent reactions.

Conclusion:

Hydrotalcites act as heterogeneous catalysts that conduct highly efficient processes in short reaction
times and with the advantage of their easy recovery and reuse without significant loss of their catalytic activity.
In addition, due to the modification of their structural and chemical properties, they are catalysts with
multiple applications in organic synthesis such as Michael addition reactions, dehydrogenation reactions of alcohols,
Knoevenagel condensations, reduction reactions, oxidations, epoxidations, multicomponent reactions,
among others. Multicomponent reactions are of major interest since they allow obtaining compounds that have
high biological activity and are generated through processes in a single step by combining three or more starting
reagents under solvent-free conditions.
2-Acryloyl-4,5-methylenedioxyphenol: A Small Molecule Endowed with Antidermatophytic Activity
Authors: Zuccolo Marco , Dallavalle Sabrina , Cincinelli Raffaella , Mattio Luce , Mazzini Stefania , De Cesare Michelandrea , Musso Loana
Published: August 2018

Background:

Superficial fungal infections are the most common fungal diseases in
humans, affecting more than 25% of the population worldwide.

Methods:

In the present study, we have investigated the activity of kakuol, a natural compound
isolated from the rhizomes of Asarum sieboldii, and some analogues, against various dermatophytes
and pharmacologically relevant yeasts.

Results:

One of the tested compounds, 2-acryloyl-4,5-methylenedioxyphenol, showed a broadspectrum
activity against most of the fungal species assayed, resulting particularly effective against
dermatophyte strains (MIC values in the range of 0.25-0.5 µg/mL, two/four-fold lower than the
positive control miconazole).

Conclusion:

The results suggest that this molecule can be considered a promising starting point for
the development of new antifungal compounds.
3D-QSAR Studies of S-DABO Derivatives as Non-nucleoside HIV-1 Reverse Transcriptase Inhibitors
Authors: Wang Yueping , Chang Jie , Wang Jiangyuan , Zhong Peng , Zhang Yufang , Lai Christopher Cong , He Yanping
Published: August 2018

Background:

S-dihydro-alkyloxy-benzyl-oxopyrimidines (S-DABOs) as non-nucleoside
reverse transcriptase inhibitors have received considerable attention during the last decade due to
their high potency against HIV-1.

Methods:

In this study, three-dimensional quantitative structure-activity relationship (3D-QSAR) of
a series of 38 S-DABO analogues developed in our lab was studied using Comparative Molecular
Field Analysis (CoMFA) and Comparative Molecular Similarity Indices Analysis (CoMSIA). The
Docking/MMFF94s computational protocol based on the co-crystallized complex (PDB ID: 1RT2)
was used to determine the most probable binding mode and to obtain reliable conformations for
molecular alignment. Statistically significant CoMFA (q2=0.766 and r2=0.949) and CoMSIA
(q2=0.827 and r2=0.974) models were generated using the training set of 30 compounds on the basis
of hybrid docking-based and ligand-based alignment.

Results:

The predictive ability of CoMFA and CoMSIA models was further validated using a test
set of eight compounds with predictive r2
pred values of 0.843 and 0.723, respectively.

Conclusion:

The information obtained from the 3D contour maps can be used in designing new SDABO
derivatives with improved HIV-1 inhibitory activity.
Molecular Modeling of an Orphan GPR18 Receptor
Authors: Kuder Kamil J. , Karcz Tadeusz , Kaleta Maria , Kiec-Kononowicz Katarzyna
Published: August 2018

Background: :

One of the best known to date GPCR class A (Rhodopsin) includes more
than 100 orphan receptors for which the endogenous ligand is not known or is unclear. One of them
is N-arachidonyl glycine receptor, named GPR18, a receptor that has been reported to be activated
by Δ9-THC, endogenous cannabinoid receptors agonist anandamide and other cannabinoid receptor
ligands suggesting it could be considered as third cannabinoid receptor. GPR18 activity, as well as
its distribution might suggest usage of GPR18 ligands in treatment of endometriosis, cancer, and
neurodegenerative disorders. Yet, so far only few GPR18 antagonists have been described, thus
only ligand-based design approaches appear to be most useful to identify new ligands for this orphan
receptor.

Methods: :

Main goal of this study, GPR18 inactive form homology model was built on the basis of
the evolutionary closest homologous template: Human P2Y1 Receptor crystal structure.

Results: :

Obtained model was further evaluated and showed active/nonactive ligands differentiating
properties with acceptable confidence. Moreover, it allowed for preliminary assessment of proteinligand
interactions for a set of previously described ligands.

Conclusion::

Thus collected data might serve as a starting point for a discovery of novel, active
GPR18 blocking ligands.
In silico Design of a Novel Serotype Independent Vaccine Against Streptococcus pneumoniae Based on B-cell Epitope Regions of Fibronectin Binding Protein, Choline Binding Protein D, and D-alanyl-D-alanine Carboxypeptidase
Authors: Tarahomjoo Shirin , Ghaderi Soheila
Published: August 2018

Background:

Pneumococcal conjugate vaccines (PCVs) in the past, have been constructed via chemical coupling of pneumococcal capsules to immunogenic carrier proteins. The PCVs implementation in developing countries was prevented by their high manufacturing costs. This issue can be overcome via the development of protein-based vaccines against pneumococci. Choline binding protein D (CBPD), fibronectin binding protein (FBP), and D-alanyl-D-alanine-carboxy peptidase (DDCP) were already identified as pneumococcal surface proteins able to elicit protection against S. pneumoniae serotype 19F.

Methods:

As antibody responses are necessary for protection against pneumococci, the aim of this study is, therefore, to design computationally a chimeric pneumococcal vaccine using B-cell epitope regions of CBPD, FBP, and DDCP. These regions were determined using results of Bepipred, BCPreds and CBTope programs. The most probable immunoprotective B-cell epitope region (MIBR) of each protein was identified using VaxiJen. MIBRs were highly conserved in common S. pneumoniae serotypes causing invasive pneumococcal disease worldwide. The conserved MIBRs were joined together using either flexible (Gly4Ser)2 linker or the rigid AspProArgValProSerSer linker to form antigens with molecular weights of 22.53 kDa and 22.74 kDa, respectively.

Results and Discussion:

The codon optimization was done for the chimeric antigens. Analysis of mRNAs secondary structures revealed no stable hairpins at 5' ends that could interfere with antigen expression. The 3D model of the antigen possessing the flexible linker contained alpha helix, whereas several beta sheets were observed in the tertiary structure of the antigen possessing the rigid linker and it did not have any alpha helixes. Moreover, the antigen-containing the rigid linker included a beta sheet in the C-terminus of DDCP MIBR, which showed 60% residue identity to the beta sheet in the same region of the partial structure of DDCP obtained from protein data bank. However, the other antigen did not contain any similar structural elements in DDCP MIBR.

Conclusion:

In silico analyses of physicochemical properties indicated that inclusion of the rigid linker instead of the flexible linker resulted in better stability of the chimeric antigen. In addition, using the rigid linker increased the probability of the protein soluble expression in Escherichia coli. Therefore, the chimeric antigen composed of conserved MIBRs joining via the rigid linker is predicted to be a suitable vaccine candidate, which could elicit protection against common pneumococcal serotypes.
In Silico Design of New B-Raf Kinase Type-II Inhibitors Through Combined Molecular Modeling Studies
Authors: Zhou Weineng , Lu Shuai , Zhang Yanmin , Yin Lingfeng , Zhu Lu , Zhao Junnan , Lu Tao , Chen Yadong , Liu Haichun
Published: August 2018

Background:

B-Raf has become an important and exciting therapeutic cancer target.

Methods:

In the present work, molecular modeling protocols like molecular docking, MM/GBSA calculations, 3D-QSAR and binding site detection were performed on a dataset of 41 Type II inhibitors. Molecular docking was applied to explore the detailed binding process between the inhibitors and B-Raf kinase. Furthermore, the good linear relationships between G-Scores and MM/GBSA calculated and the experimental activity were shown. The satisfactory CoMFA and CoMSIA were constructed based on the conformations obtained by molecular docking.

Results:

The key structural requirements for increasing biological activity were verified by analyzing 3D contour maps of the 3D-QSAR models. FTMap and SiteMap were also used to detect the more efficient active binding site.

Conclusion:

New inhibitors were synthesized and the biological activities were evaluated, the results further validated our design strategy.
Synthesis and Anticancer Activity of New Hydrazide-hydrazones and Their Pd(II) Complexes
Authors: Kocyigit-Kaymakcioglu Bedia , Yazici Senem Sinem , Tok Fatih , Dikmen Miriş , Engür Selin , Oruc-Emre Emine Elçin , Iyidogan Aysegul
Published: August 2018

Background:

Hydrazones, one of the important classes of organic molecules, are pharmaceutical
agents comprising –CO-NH-N=CH- group in the structure therefore and exhibiting significant
biological activity.

Methods:

5-Chloro-N’-[(substituted)methylidene] pyrazine-2-carbohydrazide (3a-g) and their Pd(II)
complexes (4a-h) were synthesized and investigated in vitro anticancer activity on A549, Caco2 cancer
and normal 3T3 fibroblast cell lines, using the MTT assay.

Results:

Anticancer activity screening results revealed that some compounds showed remarkable cytotoxic
effect. Among them, 5-chloro-N'-[(4-hydroxyphenyl)methylidene] pyrazine-2-carbohydrazide
(3c) displayed higher cytotoxic activity against A549 cancer cell line than the reference drug cisplatin.

Conclusion:

Compound 3c showed high cytotoxic activity against A549 cancer cell line but it showed
low cytotoxic effect against normal 3T3 fibroblast cell line. Antiproliferative and antimetastatic effects
of 3c were determined by the real-time monitoring of cell proliferative system (RTCA DP). The cell
proliferation, metastatic and invasive activities of A549 cells were decreased due to increased concentration
of 3c.
Synthesis and Anti-Tumor Activity Evaluation of Novel 7-Fluoro-4-(1- Piperazinyl) Quinolines
Authors: Liu Dan , Xue Aiqi , Liu Zhixin , Zhang Yi , Peng Penghui , Wang Haifeng
Published: August 2018

Background:

Three series of new 7-fluoro-4-(1-piperazinyl) quinolines (I1~I6, II1~II2 and
IV1~IV4) were synthesized. Their anti-tumor activity was evaluated in vitro against three human
carcinoma cell lines, namely SGC-7901 cells, BEL-7402 cells and A549 cells expressing high levels of
EGFR by Methyl Thiazolyl Terazolium (MTT) assay.

Methods:

Three series of quinoline derivatives were synthesized, characterized and evaluated for their
in vitro anti-tumor activities.

Results and Discussion:

Structures of the newly synthesized compounds were confirmed by spectral
analysis. The preliminary bioassay indicated that compounds I1, I10 and II1 exhibited better anti-tumor
activity than the rest of the target compounds and gefitinib against A549 cell based assay, which
demonstrated that compounds I1, I10 and II1 are potential agents for cancer therapy. Results suggested
that the substitutes on piperazinyl influenced anti-tumor activities remarkably.

Conclusion:

These results are useful for discovering more potent novel anti-tumor compounds and
further studies are ongoing.
Ethnomedicinal Uses, Phytochemistry and Pharmacology of Carica papaya Plant: A Compendious Review
Authors: Kaur Manpreet , Talniya Naveen Chandra , Sahrawat Seema , Kumar Arvind , Stashenko Elena E.
Published: August 2018

Medicinal properties of papaya (Carica papaya Linn.) fruit and other parts are wellknown
in the traditional system of medicine. Papaya plant originated in Central America and now
grown in tropical areas of worldwide, most particularly in Africa and Asia. Studies validate that, papaya
has several pharmacological activities, such as antioxidant, antiulcer, antibacterial, woundhealing,
anti-inflammatory and anti-sickling, just to name a few. The present review article provides
the explicit and updated information on botanical aspects, ethnomedicinal uses, phytochemistry and
pharmacological activities of C. papaya plant in order to explore their therapeutic potential. This
review conducted a systematic search on C. papaya through electronic database search (Google
Scholar, PubMed, SciFinder, Scopus, Science Direct, and Web of Science) and a library search for
articles published in peer-reviewed journals, until January of 2018. Constituents of papaya plant belongs
to different chemical classes that include alkaloids, flavonoids, terpenoids, saponins, steroids,
tannin, vitamins, quinones, minerals and others. Experimental evidence confirmed that these classes
of compounds cure the microbial infections, diabetes, inflammatory, cytotoxic and liver disorders.
Conclusively, the present review aimed to summarize the information of ethnomedicinal uses, phytochemistry
and pharmacological activities to prevent and treat the wide range of diseases and disorders.
The future research draws the attention of the researcher for intensive investigations relating to
phytochemicals, pharmacological activities and industrial applications.
The Effects of Tempeh Gembus, an Indonesian Fermented Food, on Lipid Profiles in Women with Hyperlipidemia
Authors: Afifah Diana Nur , Nabilah Nida , Supraba Galuh Tamarasani , Pratiwi Syafira Noor , Nuryanto  , Sulchan Mohammad
Published: August 2018

Background:

Hyperlipidemia is the major precursor of lipid-related diseases. Consumption
of high fiber foods may decrease lipid profiles. The fiber content in tempeh gembus is three times
higher than regular tempeh.

Objective:

This study was conducted to investigate the effect of tempeh gembus on lipid profiles in
women with hyperlipidemia.

Methods:

This research used the quasi-experimental design with nonequivalent control group design.
Subjects were 41 women with hyperlipidemia, classified into 3 groups: control group, treatment group
1 given 103 g/day tempeh gembus, and treatment group 2 given 206 g/day tempeh gembus for 14 days.
All of the groups received nutrition education. Total cholesterol and HDL-C were determined by
CHOD-PAP method, triglyceride determined by enzymatic GPO-PAP method after subjects had been
fasting for approximately 10 hours. LDL-C was calculated by Friedewald equation.

Results:

These results showed that consumption of tempeh gembus 103 g/day and 206 g/day decreased
LDL-C 27.9% and 30.9% as well as decreased total cholesterol 17.7% and 19.8% respectively. However,
HDL-C increased 3.91% and 8.79% and triglyceride increased 2.3% and 3.1%. Tempeh gembus
given 206 g/day was more effective to decrease total cholesterol and LDL-C than 103 g/day.

Conclusion:

Increasing tempeh gembus consumption in women with hyperlipidemia should be addressed
to decrease LDL-C and total cholesterol.
Nutrition Components of Dry Noodles From Substitution of Aloe vera Skin Extract and Maize’s Sprout Flour
Authors: Narsih  , Agato
Published: August 2018

Background:

The dried noodles produced from maize raw materials soaked for 24 hours
were germinated for 36 hours and the Aloe vera skin extracted at 80°C for 60 minutes showed high
nutrients, proving that this food product has functional properties.

Objective:

To check the quality of dry noodles produced from the combination of maize sprout flour
and Aloe vera skin extract.

Subject and Methods:

The materials used were maize and Aloe vera skin. Maize was soaked for 24
hours and germinated for 36 hours and the Aloe vera skin was extracted at 80°C for 60 minutes. The
maize sprouts obtained were then dried and floured. Then, Aloe vera skin extract was added, followed
by other noodle-forming materials for further processing of dried noodles. The nutrient components
were analyzed in the produced noodles.

Results:

The maize sprout flour had 11.35% protein, protein digestibility 84.84%, starch 37.63%,
phytate compound 131.09 mg/g, organic compounds 11 mg/g, and functional compounds 22 mg/g,
while the noodle product had elongation of 96.15%, swelling index of 19.64%, tensile strength of
2.01 Nmm, 18 organic acids compounds (lactate, oxalate, succinic, malic, mevalonic, p coumaric,
ascorbate, ferulic, panthotenic, myristic, hexadecanoic, palmitic, α-linoleic, linoleic acid, oleic, stearate,
isobehenate and folic) and 23 functional groups in the range 527.29 - 3354.74 cm-1.

Conclusion:

Dry noodles produced from Aloe vera skin extract and maize sprout flour have functional
properties.
The Role of Atrial Fibrosis Detected by Delayed - Enhancement MRI in Atrial Fibrillation Ablation
Authors: Kis Zsuzsanna , Hendriks Astrid Amanda , Muka Taulant , Bramer Wichor M. , Kovacs Istvan , Szili-Torok Tamas
Published: August 2018

Introduction:

Atrial Fibrillation (AF) is associated with remodeling of the atrial tissue,
which leads to fibrosis that can contribute to the initiation and maintenance of AF. Delayed-
Enhanced Cardiac Magnetic Resonance (DE-CMR) imaging for atrial wall fibrosis detection was
used in several studies to guide AF ablation. The aim of present study was to systematically review
the literature on the role of atrial fibrosis detected by DE-CMR imaging on AF ablation outcome.

Methods:

Eight bibliographic electronic databases were searched to identify all published relevant
studies until 21st of March, 2016. Search of the scientific literature was performed for studies describing
DE-CMR imaging on atrial fibrosis in AF patients underwent Pulmonary Vein Isolation
(PVI).

Results:

Of the 763 citations reviewed for eligibility, 5 articles (enrolling a total of 1040 patients)
were included into the final analysis. The overall recurrence of AF ranged from 24.4 - 40.9% with
median follow-up of 324 to 540 days after PVI. With less than 5-10% fibrosis in the atrial wall
there was a maximum of 10% recurrence of AF after ablation. With more than 35% fibrosis in the
atrial wall there was 86% recurrence of AF after ablation.

Conclusion:

Our analysis suggests that more extensive left atrial wall fibrosis prior ablation predicts
the higher arrhythmia recurrence rate after PVI. The DE-CMR imaging modality seems to be
a useful method for identifying the ideal candidate for catheter ablation. Our findings encourage
wider usage of DE-CMR in distinct AF patients in a pre-ablation setting.
A New Relational Database Including Clinical Data and Myocardial Perfusion Imaging Findings in Coronary Artery Disease
Authors: Megna Rosario , Petretta Mario , Alfano Bruno , Cantoni Valeria , Green Roberta , Daniele Stefania , Acampa Wanda , Nappi Carmela , Gaudieri Valeria , Assante Roberta , Zampella Emilia , Mazziotti Emanuela , Mannarino Teresa , Buongiorno Pietro , Cuocolo Alberto
Published: August 2018

Background:

The aim of this study was to test a relational database including clinical
data and imaging findings in a large cohort of subjects with suspected or known Coronary Artery
Disease (CAD) undergoing stress single-photon emission computed tomography (SPECT) myocardial perfusion imaging.

Methods:

We developed a relational database including clinical and imaging data of 7995 subjects
with suspected or known CAD. The software system was implemented by PostgreSQL 9.2, an open
source object-relational database, and managed from remote by pgAdmin III. Data were arranged according to a logic of aggregation and stored in a schema with twelve tables. Statistical software was
connected to the database directly downloading data from server to local personal computer.

Results:

There was no problem or anomaly for database implementation and user connections to
the database. The epidemiological analysis performed on data stored in the database demonstrated
abnormal SPECT findings in 46% of male subjects and 19% of female subjects. Imaging findings
suggest that the use of SPECT imaging in our laboratory is appropriate.

Conclusion:

The development of a relational database provides a free software tool for the storage
and management of data in line with the current standard.
Image Based Brain Segmentation: From Multi-Atlas Fusion to Deep Learning
Authors: Lin Xiangbo , Li Xiaoxi
Published: August 2018

Background:

This review aims to identify the development of the algorithms for brain
tissue and structure segmentation in MRI images.

Discussion:

Starting from the results of the Grand Challenges on brain tissue and structure segmentation
held in Medical Image Computing and Computer-Assisted Intervention (MICCAI), this
review analyses the development of the algorithms and discusses the tendency from multi-atlas label
fusion to deep learning. The intrinsic characteristics of the winners’ algorithms on the Grand
Challenges from the year 2012 to 2018 are analyzed and the results are compared carefully.

Conclusion:

Although deep learning has got higher rankings in the challenge, it has not yet met the
expectations in terms of accuracy. More effective and specialized work should be done in the future.
Chemical Composition and In Vitro Neuroprotective Activity of Fibre-Type Cannabis sativa L. (Hemp)
Authors: Corsi Lorenzo , Pellati Federica , Brighenti Virginia , Plessi Nicolò , Benvenuti Stefania
Published: August 2018

Background:

Fibre-type Cannabis sativa L. (hemp) usually contains cannabidiolic acid and
cannabidiol as the main non-psychoactive cannabinoids. Even though there is evidence of the neuroprotective
activity of pure cannabidiol, no in vitro studies have reported so far the role of hemp extracts on
neuroprotection. The objective of this study was to evaluate the neuroprotective effect of hemp extracts
in in vitro cellular models of neurotoxicity.

Methods:

One extract was obtained from raw hemp inflorescences, while the other was prepared from
the same plant material submitted to a decarboxylation process. The composition of both these extracts
was evaluated by HPLC-UV/DAD. Human neuroblastoma SH-SY5Y and microglial BV-2 cell lines
treated with rotenone were selected as the model of neurodegeneration. The neuroprotection of hemp
extracts was assessed also in serum-free conditions both in the presence and in the absence of rotenone
as the toxic agent by using the same cell lines. The neuroprotective potential of cannabidiol was tested
in parallel.

Results:

The decarboxylated hemp extract possesses a mild neuroprotective activity on BV-2 cells
treated with rotenone, higher than that of pure cannabidiol. As regards serum-free experiments, the nondecarboxylated
hemp extract was the most effective neuroprotective agent toward SH-SY5Y cells,
while BV-2 cells were better protected from the toxic insult by the decarboxylated extract and cannabidiol.

Conclusion:

Both hemp extracts and pure cannabidiol displayed a moderate neuroprotective activity in
the neurotoxicity models considered in this study; in addition, they showed a trophic effect on SHSY5Y
cells.
A Review on Micro-Patterning Processes of Vertically Aligned Carbon Nanotubes Array (VACNTs Array)
Authors: Razib Mohd Asyraf Bin Mohd , Saleh Tanveer
Published: August 2018

Vertically Aligned Carbon Nanotubes array which is also sometimes labeled as carbon
nanotubes forests has many applications in several engineering fields for its remarkable mechanical,
electrical, optical, and thermal properties. The Vertically Aligned Carbon Nanotubes array is often
employed in developing microdevices such as pressure sensor, angle sensor, switches, etc. To successfully
integrate carbon nanotubes forest to the micro-electro-mechanical systems based devices,
micropatterning of the carbon nanotubes forest is required. There are several methods available to
realize micropatterning of Vertically Aligned Carbon Nanotubes array, from in-situ patterning during
the growth process to post-patterning process. Each has its advantages and disadvantages. This paper
will discuss elaborately different patterning processes of the carbon nanotubes forest and their different
characteristics.
A Hybrid Filtering Approach for an Improved Context-aware Recommender System
Authors: Sharma Mugdha , Ahuja Laxmi , Kumar Vinay
Published: August 2018

Background:

The domain of context-aware recommender approaches has made a substantial advancement over the last decade, but many applications still do not include contextual information while providing recommendations. Contextual information is crucial for various application areas and should not be ignored.

Objective:

There are generally three algorithms which can be used to include context and those are - pre-filter approach, post-filter approach and contextual modeling. Each of the algorithms has their own drawbacks if any single approach is chosen. The goal of this work is to identify and propose a new hybrid approach which can include contextual information to improve the current movie recommender systems.

Method:

Post evaluation of various patents related to recommender systems, the proposed approach modifies the post filter approach to rectify its shortcomings and combines it with the pre-filter approach based on the importance of contextual attribute provided by the user.

Results:

The performance of the proposed system is measured in terms of precision of the system and ranking of the recommended movies to the user. The results of experimental setup also demonstrate that the proposed system improves the precision and ranking of the recommendations provided to the user.

Conclusion:

With the help of this hybrid approach, the proposed system eliminates the problem of sparsity which is present in the pre-filter algorithm, and has performance improvement over the traditional post-filter approach. The proposed system will be vital for movie ticketing brands for the promotional purposes and various online content providers to recommend the accurate movies to their users.