bluuebunny/crossref_metadata_2025 huggingface dataset:
Effects of Unfiltered Coffee and Bioactive Coffee Compounds on the Development of Metabolic Syndrome Components in a High‐Fat/High‐Fructose-Fed Rat Model
Authors: Shokouh Pedram , Jeppesen Per Bendix , Hermansen Kjeld , Laustsen Christoffer , Stødkilde-Jørgensen Hans , Hamilton-Dutoit Stephen Jacques , Søndergaard Schmedes Mette , Qi Haiyun , Stokholm Nørlinger Thomas , Gregersen Soeren
Published: August 2018

Literature is inconsistent as to how coffee affects the features of the metabolic syndrome (MetS), and which bioactive compounds are responsible for its metabolic effects. We aimed to compare the in-vivo effects of unfiltered coffee with a selected mixture of its compounds on diet-induced MetS. 24 male Sprague-Dawley rats were fed a high-fat (35% W/W) food plus 20% W/W fructose in drinking water for 14 weeks, and were randomized into three groups: control, coffee, or nutraceuticals (5-O-caffeoylquinic acid, caffeic acid, and trigonelline). Coffee or nutraceuticals were provided in drinking water in a dosage equal to 4 cups/day in a human. Compared to the controls, only coffee supplementation decreased total food intake, weight gain, and estimated average plasma glucose. Surrogate measures of insulin resistance (fasting insulin, HOMA-IR, and oral glucose tolerance) were improved at endpoint in the coffee group. Circulating triglyceride levels were also reduced by coffee. Histopathological and quantitative measurements indicated lower grades of liver steatosis after long-term coffee consumption. In conclusion, a combination of phenolic acids and trigonelline was not as effective as coffee per se in improving the components of the MetS. This points to the role of other coffee chemicals and a potential synergism between compounds.
Synthesis of Nanocrystalline-Doped ZnO with Al3+ and Ni2+ by Sol-Gel Method Coupled by Ultrasound Irradiation
Authors: Robles-Águila M. J. , Luna-López J. A. , Hernández de la Luz Álvaro D. , Martínez-Juárez J. , Rabanal M. E.
Published: August 2018

Zinc oxide is one of the most important semiconductor metal oxides and one of the most promising n-type materials, but its practical use is limited because of both its high thermal conductivity and its low electrical conductivity. Numerous studies have shown that doping with metals in ZnO structures leads to the modification of the band gap energy. In this work, Al-doped ZnO, Ni-doped ZnO, and undoped ZnO nanocrystalline powders were prepared by sol-gel method coupled with ultrasound irradiation. The doping concentration in ZnO was 1.0 at.% of Al and Ni. Influence of Al3+ and Ni2+ ions in the ZnO network are explored in this paper. X-ray Diffraction (XRD), Raman Spectroscopy, Nitrogen Adsorption (BET method), X-Ray Fluorescence (XRF) and Field Emission Scanning Electron Microscopy (FESEM) analyses demonstrated the incorporation of metal ions (aluminum and nickel) into the ZnO wurtzite structure. The crystallite size of the sample was decreased from 24.5 nm (ZnO) to 22.0 nm (ZnO-Al) and 21 nm (ZnO-Ni).
Modified Kudrayshov Method to Solve Generalized Kuramoto–Sivashinsky Equation
Authors: Silambarasan Rathinavel , Kilicman Adem
Published: August 2018

The generalized Kuramoto–Sivashinsky equation is investigated using the modified Kudrayshov equation for the exact analytical solution. The modified Kudrayshov method converts the nonlinear partial differential equation to algebraic equations by results of various steps which on solving the so obtained equation systems yields the analytical solution. By this way various exact including complex solutions are found and drawn their behaviour in complex plane by Maple to compare the uniqueness of various solutions.
The Economic Value of Informal Caregiving for Persons With Dementia: Results From 38 States, the District of Columbia, and Puerto Rico, 2015 and 2016 BRFSS
Authors: Rabarison Kristina M. , Bouldin Erin D. , Bish Connie L. , McGuire Lisa C. , Taylor Christopher A. , Greenlund Kurt J.
Published: August 2018

Objectives. To estimate the economic value from a societal perspective of informal caregiving of persons with dementia in 38 states, the District of Columbia, and Puerto Rico.

Methods. Using a cost replacement method and data from the 2015 and 2016 Behavioral Risk Factor Surveillance System caregiver module, the US Bureau of Labor Statistics May 2016 Occupation Profiles, and the US Department of Labor, we estimated the number and economic direct cost of caregiving hours.

Results. An estimated 3.2 million dementia caregivers provided more than 4.1 billion hours of care, with an average of 1278 hours per caregiver. The median hourly value of dementia caregiving was $10.28. Overall, we valued these caregiving hours at $41.5 billion, with an average of $13 069 per caregiver.

Conclusions. Caregivers of persons with dementia provide care that has important economic implications. Without these efforts, many people would either not receive needed care or have to pay for that support. Surveillance data can be used to estimate the contributions of informal caregivers and the economic value of the care they provide.
The Belmont Report at 40: Reckoning With Time
Authors: Adashi Eli Y. , Walters LeRoy B. , Menikoff Jerry A.
Published: August 2018

It was the summer of 1972 when a stunned nation first learned of the infamous Tuskegee Syphilis Study, during which hundreds of poor, disease-stricken black men from Macon County Alabama, had been deliberately left untreated for 40 years.

Coming on the heels of multiple, earlier examples of unethical human experimentation, the Tuskegee Syphilis Study made it plain that the moral foundation of human subject research was in desperate need of repair. Blind reliance on the Nuremberg Code and the Declaration of Helsinki was no longer going to suffice.

It was against this backdrop that Congress resolved to act. Numerous hearings and multiple spirited discussions later, an agreement was struck to constitute the “Commission.” The outgrowth of a retreat held at the Smithsonian Institution’s Belmont Conference Center, the Belmont Report lays out a principled analytical framework to “guide the resolution of ethical problems arising from research involving human subjects.” Durable and ever-present, the Belmont Report, which is the foundational document that reset the ethics of human subject research, must now reckon with all-important novel issues of the day that could not have been foreseen by its drafters.
Mass Casualty Shooting Venues, Types of Firearms, and Age of Perpetrators in the United States, 1982–2018
Authors: Brown Joshua D. , Goodin Amie J.
Published: August 2018

Objectives. To evaluate the association between mass casualty shooting venues, types of firearms, and the age of perpetrators in the United States.

Methods. We analyzed data on mass casualty (≥ 3 fatalities) shootings for August 1982 through February 14, 2018. We describe data overall, specifically by school venues and the weapons used. We categorized perpetrators by ages of younger than 18 years, 18 to 20 years, and 21 years and older. We described the number of victims (fatalities plus injuries) by medians and average per event.

Results. Of 97 events, the median perpetrator age was 35 years and 21 years for school shootings. Four of 16 school events were committed by those aged 18 to 20 years, and all of those events included long guns. Victims of perpetrators aged 18 to 20 years made up 9.0% of all victims and 31.1% of victims of school shootings.

Conclusions. Persons aged 18 to 20 years perpetrated about 1 in 8 shootings, accounting for about 1 in 3 victims of school shootings.

Public Health Implications. Legislation to prevent mass casualty events must be multifaceted, including age restrictions, restrictions on certain types of firearms, and improved resources for mental health, with particular emphasis on mental health and firearm restrictions for young adults.
Modeling Health Benefits and Harms of Public Policy Responses to the US Opioid Epidemic
Authors: Pitt Allison L. , Humphreys Keith , Brandeau Margaret L.
Published: August 2018

Objectives. To estimate health outcomes of policies to mitigate the opioid epidemic.

Methods. We used dynamic compartmental modeling of US adults, in various pain, opioid use, and opioid addiction health states, to project addiction-related deaths, life years, and quality-adjusted life years from 2016 to 2025 for 11 policy responses to the opioid epidemic.

Results. Over 5 years, increasing naloxone availability, promoting needle exchange, expanding medication-assisted addiction treatment, and increasing psychosocial treatment increased life years and quality-adjusted life years and reduced deaths. Other policies reduced opioid prescription supply and related deaths but led some addicted prescription users to switch to heroin use, which increased heroin-related deaths. Over a longer horizon, some such policies may avert enough new addiction to outweigh the harms. No single policy is likely to substantially reduce deaths over 5 to 10 years.

Conclusions. Policies focused on services for addicted people improve population health without harming any groups. Policies that reduce the prescription opioid supply may increase heroin use and reduce quality of life in the short term, but in the long term could generate positive health benefits. A portfolio of interventions will be needed for eventual mitigation.
Public Program Enrollment Following US State Medicaid Expansion and Outreach
Authors: Lanese Bethany G. , Fischbein Rebecca , Furda Chelsea
Published: August 2018

Objectives. To examine the joint impact of states’ Medicaid expansion and participation in Medicaid enrollment outreach at the take-up of other means-tested public programs (Women, Infants, and Children [WIC], Supplemental Nutrition Assistance Program [SNAP]).

Methods. Data were used from the American Community Survey, WIC, and SNAP. We used difference-in-differences analyses to compare the combined impact of Medicaid expansion and enrollment outreach on program enrollment.

Results. Enrollment in means-tested programs decreased after 2014, regardless of Medicaid expansion and outreach status. However, gaps in enrollment among states that both expanded Medicaid and conducted outreach, compared with states that did neither, increased after expansion of SNAP and WIC enrollment (10.15% and 4.57%, respectively) and favored those states that did both.

Conclusions. States that both expanded Medicaid and conducted Medicaid enrollment outreach experienced smaller decreases in SNAP and WIC enrollment in comparison with other states. Moreover, enrollment in SNAP has shown to reduce health care expenditures. Greater collaboration among public programs, such as streamlining eligibility data and concerted outreach efforts, is one of the achievements of the Affordable Care Act that should be continued.
Distribution of Harm Reduction Kits in a Specialty HIV Hospital
Authors: Miskovic Miroslav , Chan Carusone Soo , Guta Adrian , O’Leary Bill , dePrinse Karen , Strike Carol
Published: August 2018

Casey House, a small Toronto, Ontario, hospital for people living with HIV, implemented a harm-reduction kit distribution program in October 2014 to decrease harms from reuse of injection and smoking equipment among its clients—inpatients and outpatients. Program statistics (November 2014–June 2017) show an increase in the number of kits—injection and smoking—distributed each year. The program is perceived by staff to communicate openness and increased willingness of clinicians and clients to discuss drug-related harms.
A Clinical Test to Measure Airborne Microbial Contamination on the Sterile Field During Total Joint Replacement
Authors: Harp John H.
Published: August 2018

Background:

Airborne microbe-carrying particles in the operating-room environment during total joint replacement are a risk factor for periprosthetic joint infection. The present study focuses on a simple environmental test, based on practices used in aseptic cleanrooms, to quantify the deposition of microbe-carrying particles onto the sterile field.

Methods:

Settle plates are exposed Petri dishes. A settle plate test system and sampling plan were developed from current practices used in aseptic manufacturing. A pilot study evaluated this system in an orthopaedic operating room during 22 total knee and hip arthroplasties. The microbial deposition total (MDT), expressed in colonies/m2, is proposed as an outcome variable to report airborne sterile-field contamination as measured with settle plates. Two reference MDT levels were developed: (1) an upper limit of 450, corresponding with the ultraclean air definition of 10 colonies/m3, and (2) a target level of 100, corresponding with 1 colony/m3. These levels also correspond with widely used limits in aseptic cleanrooms and controlled environments.

Results:

High MDT standard deviations were noted. Ninety-one percent (95% confidence interval, 71.0% to 98.7%) of wound zone MDT levels were within the upper limit. Twenty-seven percent (95% confidence interval, 12.9% to 48.4%) of wound zone levels were within the target level.

Conclusions:

Settle plates are a feasible technique to test environmental levels of microbe-carrying particles on sterile fields during total joint replacement for scientific and environmental quality studies.

Clinical Relevance:

This settle plate operating-room environmental test can be used in future research to validate the presence of actual ultraclean-air conditions during periprosthetic joint infection outcome studies. Surgeons also can use this test to measure intraoperative airborne microbe-carrying-particle sterile-field contamination and compare it with ultraclean-air reference levels for environmental quality-control programs.
FROM IIM TO AUGMENTED IIM: A POWERFUL TOOL FOR COMPLEX PROBLEMS USING CARTESIAN MESHES
Authors: Li Zhilin
Published: August 2018

The immersed interface method (IIM) ?rst proposed in is an accurate numerical method for solving elliptic interface problems on Cartesian meshes. It is a sharp interface method that was intended to improve accuracy of the immersed boundary (IB) method. The IIM is second order accurate in the maximum norm (pointwise, strongest) while the IB method is ?rst order accurate. The ?rst IIM paper is one of the most downloaded one from the SIAM website and is one of the most cited papers. While IIM provided a way of accurate discretization of the partial differential equations (PDEs) with discontinuous coefficients, the augmented IIM ?rst proposed in made the IIM much more efficient and faster by utilizing existing fast Poisson solvers. More important is that the augmented IIM provides an efficient way for multi-physics models with different governing equations, problems on irregular domains, multi-scales and multi-connected domains. A brie?y introduction of the augmented strategy including some recently progress is presented in this article.
Forage Mass Production, Forage Nutritive Value, and Cost Comparisons of Three‐Way Cover Crop Mixes
Authors: Farney Jaymelynn K. , Sassenrath Gretchen F. , Davis Cathryn J. , Presley Deann
Published: August 2018

Core Ideas

Oat/radish/clover and oat/turnip/clover are the lowest cost for tonnage and energy.

Cover crop mixes differ in protein but exceed requirements for cattle needs.

Cover crop mixes differ in fiber, but no effect on cattle intake is expected.

Biomass production in wetter and hotter environments results in slightly more tonnage.

The use of annual forage mixtures as a fall–winter cover crop offers multiple benefits for both livestock and the environment. The objectives of this study were to evaluate the quantity, quality, and cost of 16 three‐way cover crop mixtures for use as a fall cattle feed. The cover crop mixes were grown for 2 years (2014 and 2015) in a randomized complete block design where every mixture had one species of each: grass, brassica, and legume. Seeds were sown in August each year, and forages were clipped at approximately 45, 74, and 92 days after planting (DAP) and analyzed for nutritive value, forage mass production, and cost to produce a pound of forage, pound of protein, and pound of energy based on seed cost. Averaged across years and sampling dates, total forage mass production and crude protein (CP) varied by treatment (P = 0.001) with a range of ∼1,400 lb/acre from high to low forage mass production, and CP concentrations ranging from 18.6 to 24.7%. As plants matured, the forage nutritive value declined as indicated by increasing neutral detergent fiber (NDF), decreasing total digestible nutrients (TDN), and lower CP (P < 0.05). Cost per pound dry matter (DM) and energy produced per acre were different by treatments (P < 0.001) while the cost of producing each pound of protein was not (P = 0.44). Mixtures that included oat (Avena sativa) or the mix of barley (Hordeum vulgare)/turnip (Brassica rapa)/clover (Trifolium alexandrinum) were the most economical forage option for fall grazing by cattle.
Estimating Wheat Yield with Normalized Difference Vegetation Index and Fractional Green Canopy Cover
Authors: Goodwin Allen W. , Lindsey Laura E. , Harrison Steven K. , Paul Pierce A.
Published: August 2018

Core Ideas

Normalized difference vegetation index and fractional green canopy cover best estimated wheat grain yield.

Normalized difference vegetation index and fractional green canopy cover measurements should be conducted prior to Feekes 6 growth stage.

Camera height should be adjusted to capture three rows of wheat in the image when using fractional green canopy cover to estimate wheat grain yield.

Producers are interested in methods for estimating wheat grain yield at earlier growth stages. Ability to estimate wheat yield early in the growing season could provide producers with the flexibility needed to decide whether to terminate their wheat crop to plant a more profitable alternative crop, such as soybean. The traditional assessment method, counting plants and tillers, is tedious and time consuming. There is a need to create easier methods to estimate wheat yield, such as normalized difference vegetative index (NDVI) or fractional green canopy cover (FGCC). The objective of this study was to compare NDVI, FGCC, and stem count measurements at multiple wheat growth stages to estimate winter wheat grain yield. Trials were established during the 2015–2016 and 2016–2017 growing seasons at two locations in Ohio. Treatment included wheat seeding rates of 0.75, 1.0, 1.5, 2.0, and 2.5 million seeds/acre to mimic a poor to excellent wheat stand. Wheat stand assessment methods of NDVI, FGCC, and stem counts were conducted at Feekes 1 (emergence), Feekes 5 (leaf sheaths strongly erect), and Feekes 6 (first node visible) growth stages. Regression models were used to estimate wheat yield. Normalized difference vegetation index (R2 = 0.49) and FGCC (R2 = 0.45) best estimated wheat grain yield while stem count measurements accounted for 29% of the variability in yield. However, NDVI and FGCC measurements are time sensitive and should be conducted prior to Feekes 6 growth stage, and for FGCC, camera height should be adjusted to capture three rows of wheat in the image.
The Fate of Late‐Fall‐Applied Nitrogen in Creeping Bentgrass and Annual Bluegrass
Authors: Frank Kevin W. , Nikolai Thomas A. , Hathaway Aaron , Williams Zhu
Published: August 2018

Core Ideas

Research was conducted to determine the fate of late‐fall‐applied nitrogen in creeping bentgrass and annual bluegrass.

Overall, the percentage of labeled fertilizer nitrogen recovered in November at 7 days after treatment was 55%, with 47% of this total recovered in soil.

Recovery of labeled fertilizer nitrogen in the plant from a November N application was low, 9% in 2010–2011 and 3% in 2011–2012.

Research was conducted to determine the fate of late‐fall‐applied nitrogen (N) in a creeping bentgrass [Agrostis stolonifera var. L. palustris (Huds.) Farw. ‘Penncross’] and annual bluegrass (Poa annua var. reptans L.) fairway. The soil was a Marlette sandy loam (fine‐loamy, mixed, mesic Glossoboric Hapludalfs) (66% sand, 23% silt, and 11% clay) with a pH of 7.4. Plots were treated with 15N double‐labeled urea (46N‐0P‐0K) (10 atom % excess) in solution at 1 lb N/1000 ft2 on 11 Nov. 2010 and 8 Nov. 2011 to facilitate fertilizer identification among verdure, roots, and soil. Different plot areas were used in 2010 and 2011. Overall, the percentage of labeled fertilizer nitrogen (LFN) recovered in November at 7 DAT was 55%, 47% of the total was recovered in the soil. By the April sampling, the percentage of LFN recovered in soil had declined to 22%, and there was not a corresponding increase in LFN recovered in the plant. Recovery of LFN in the plant from a November N application was low, 9% in 2010–2011 and 3% in 2011–2012. Although plant recovery of applied LFN was low, between species, a higher percentage of LFN was recovered in the verdure of annual bluegrass than creeping bentgrass, 3 and 2%, respectively.
Potential Efficiency of Grassy or Shrub Willow Buffer Strips against Nutrient Runoff from Soybean and Corn Fields in Southern Quebec, Canada
Authors: Hénault‐Ethier Louise , Lucotte Marc , Smedbol Élise , Gomes Marcelo Pedrosa , Maccario Sophie , Laprise Marie Eve Lamoureux , Perron Rachel , Larocque Marie , Lepage Laurent , Juneau Philippe , Labrecque Michel
Published: August 2018

Riparian buffer strips (RBS) are encouraged to control agricultural diffuse pollution. In Quebec Province, Canada, a policy promotes 3‐m‐wide RBS. Abiding farmers minimally maintain herbaceous vegetation, but nutrient retention efficiency could be improved with woody biomass. This work aimed to assess if fast‐growing willows (Salix miyabeana Seemen ‘SX64’) could reduce nutrient loads to a stream, in addition to yielding biomass. Triplicate treatments of two Salix stem densities and a herbaceous control plot were monitored from 2011 to 2013 in a randomized block design on agricultural fields of the St. Lawrence Lowlands with sandy loam (Saint‐Roch‐de‐l’Achigan [SR]) and organic‐rich (Boisbriand [BB]) soils. Runoff, interstitial water, and water from the saturated zone were sampled 16 (SR) and 14 (BB) times to quantify nutrient buffering (NO3−, NH4+, P, and K). Sampling campaigns followed (i) snowmelt or ≥15‐mm natural precipitation events after (ii) fertilization and (iii) glyphosate‐based herbicide applications. Concentration reduction before and after the RBS was highest for nitrates (77–81% in runoff at BB, 92–98% at 35‐ to 70‐cm depth at SR) just after fertilization, when edge‐of‐field concentrations peaked. Total P removal was observed in runoff after fertilization at SR, and K removal was punctually witnessed at BB. Riparian buffer strips were inefficient for NH4 and dissolved P removal, and RBS effluents exceeded aquatic life protection standards. Salix plantations, irrespective of stem density, were not more efficient than herbaceous RBS. This shows that without fertilizer input reductions, narrow RBS are insufficient to protect streams from excess nutrients in corn (Zea mays L.) and soybean [Glycine max (L.) Merr.] crops.

Core Ideas

Riparian buffer strips (RBS) are promoted worldwide to preserve water quality.

Narrow RBS are commonly planted with herbaceous vegetation.

Salix RBS could play a dual role: water filtration and biomass production.

Narrow RBS remove some NO32− and total P and K, not dissolved P and NH4+.

Herbaceous and Salix RBS are equivalent in filtering diffuse nutrients from row crops.
Environmental Factors and Soil Amendment Affect the Decomposition Rate of Dazomet Fumigant
Authors: Fang Wensheng , Wang Qiuxia , Yan Dongdong , Huang Bin , Ren Zongjie , Wang Qian , Song Zhaoxin , Liu Xiaoman , Li Yuan , Ouyang Canbin , Cao Aocheng
Published: August 2018

Dazomet (3,5‐dimethyl‐1,3,5‐thiadiazinane‐2‐thione) is widely used as a soil fumigant for controlling soil‐borne diseases and pests in China and other agricultural countries. The active ingredient of dazomet is its degradation product, methyl isothiocyanate. Little is known about the environmental conditions that affect the degradation of dazomet in soil. In this study, we conducted laboratory incubation experiments to test the effects of several environmental factors, including soil texture, water content, temperature, pH, and soil amendments, such as chicken manure or urea fertilizer, on the decomposition of dazomet. Results showed that dazomet degradation in soil is an abiotic process strongly dependent on soil texture, water content, temperature, and pH. Decomposition rates differed greatly in various soils, depending mainly on soil physicochemical properties such as pH and organic matter content. The degradation rate increased by 15 to 24 times and by 16 to 37 times when soil temperature increased from 5 to 45°C, and water content increased from 10 to 30%, respectively. Dazomet degraded faster in alkaline versus acidic soil. Both chicken manure and urea fertilizer moderately slowed dazomet degradation. Dazomet was degraded in soil mainly by hydrolysis. The results of our study contribute to a better understanding of the environmental behavior of dazomet, potentially leading to its more efficient, safe, profitable, and effective use by farmers.

Core Ideas

Dazomet dissipation is highly dependent on soil type.

Temperature and soil water content had a large impact on the degradation of dazomet

Dazomet degraded faster in an alkaline soil than in acidic soil.

Chicken manure and urea fertilizer moderately slowed dazomet degradation.

Dazomet degradation is an abiotic process.
Effect of Rainfall on the Microbial Water Quality of a Tropical Urban Catchment
Authors: Fang Haoming , Vergara Genevieve Gabrielle Rose , Goh Shin Giek , Ang Cassandra Yu Lin , Gu Xiaoqiong , Gin Karina Yew‐Hoong
Published: August 2018

Wet weather conditions have been associated with increased bacterial and viral counts in surface waters. Moreover, heavy rainfall and flooding were found to be the most common events preceding waterborne disease outbreaks associated with extreme weather conditions. This study aimed to examine the effect of rainfall on the quality of surface waters and to determine its suitability for primary contact recreation during wet weather conditions. A total of 228 catchment water samples were collected during wet and dry periods. Parameters that were found to increase with increasing rainfall were Escherichia coli, enterococci, somatic coliphages, and turbidity, whereas total dissolved solids were found to decrease. Positive correlations (p < 0.05) were observed between cumulative rainfall and geometric mean concentrations of E. coli, enterococci, somatic coliphages, and turbidity (r = 0.69–0.95), whereas a negative correlation was observed between cumulative rainfall and total dissolved solids (r = −0.58). In addition, a rapid decline in water quality was observed during heavy rainfall that resulted in failure to meet recreational water quality guidelines. In view of public health and safety, primary recreational activities in the water catchment may not be advisable during or immediately after a rainfall event due to poor water quality.

Core Ideas

Rainfall has a significant impact on water quality in urban catchments.

E. coli, enterococci, and somatic coliphages in catchments correlated with rainfall.

Primary recreational activities in catchments are not advisable during or after rainfall.
Architectural Characteristics and Heliotropism May Improve Spray Droplet Deposition in the Middle and Low Canopy Layers in Soybean
Authors: Müller Mariele , Rakocevic Miroslava , Caverzan Andréia , Boller Walter , Chavarria Geraldo
Published: August 2018

Leaf angle and plant architecture may determine the penetration of phytosanitary products in the low layer of soybean [Glycine max (L.) Merr.] plants, make the diseases control difficult, and promote losses in crop productivity. Strategies should be studied to increase the efficiency of deposition of phytosanitary products inside the canopy. The hypothesis of this work was that reversible leaf movements and plant architecture may change the penetration of spray droplets into the low layer of soybean plants. We evaluated whether plant architectural characteristics affect spray droplet deposition and monitored if heliotropic movements can increase the efficiency of applications of plant protection products. Four soybean cultivars were investigated. Plant architectural characteristics were evaluated in the V6, V9, R2, and R4 phenological stages, interception of photosynthetically active radiation was evaluated in the V9, R2, and R4 stages, and heliotropic movements were evaluated in the V6 and R4 stages. Sprayings were performed at 0800, 1100, 1400, and 1700 h in the R4 stage. Occurrence of diaheliotropic movements was greater in the V6 than in the R4 stage. The number of branches per plant in the R4 stage was 8, 14, 6, and 14, the branch size was 10.6, 25.8, 12.5, and 21.4 cm, and the leaf area index was 4.2, 4.7, 3.7, and 4.7 for cultivars ‘BMX Ativa RR’, ‘NA 5909 RG’, ‘95R51’, and ‘BMX Potência RR’, respectively. Those architectural characteristics played the most important role in droplet penetration into the low canopy layer. Droplet deposition in the low canopy layer was greater at daylight hours close to noon, showing that the paraheliotropism occurring in those daily hours is more helpful to droplet penetration deeper into the canopy than in other hours.
Silk Development and Kernel Set in Maize as Related to Nitrogen Stress
Authors: DeBruin Jason L. , Hemphill Bryce , Schussler Jeffrey R.
Published: August 2018

Nitrogen deficiency limits yield in maize (Zea mays L.) through reduced kernel number. A day‐by‐day investigation of silk emergence and kernel establishment has not been conducted to determine when the reduction occurs. A field study was established near Adair, IL, in 2013 and Sciota, IL, during 2014 to investigate the effect of N deficiency on silk number per ear (SPE) and kernel number per ear (KPE). Three N treatments (0 [0N], 56 [56N], and 201 kg N ha−1 [201N]) and two DuPont Pioneer hybrids (P1395HR and P1498HR) were tested. The 0N treatment reduced specific leaf N by 33%, grain biomass by 35%, and KPE by 21% in 2013 and specific leaf N by 49%, grain biomass by 58%, and KPE by 50% in 2014, compared with 201N. Reduced N status had no effect on spikelet number in 2013 but reduced spikelet number by 7% in 2014. Nitrogen stress had no influence on the rate of silk emergence in 2013 but reduced silk emergence by 142 SPE d−1 in 2014. Compared with 0N, 201N increased the rate of KPE establishment by 67 KPE d−1 in 2014. Over 2 yr and three N rates, >76% of the silks emerged within 1.6 d and 97% of the kernels were established in 1.9 d. Kernel number was reduced under N deficiency by (i) kernel establishment from emerged silks, (ii) emerged silk number, and (iii) spikelet number. Alleviation of N stress by the R1 growth stage would effectively maintain optimum SPE, KPE, and yield potential.
Biomass Power Generation Potential and Utlization in Pakistan
Authors: Doggar Muhammad G. , Khurram M. Shahzad , Mirza Saima , Ghauri Moinuddin , Jamil Farrukh , Muhammad Nawshad , Rafiq Sikandar , Jaffery Mujtaba H.
Published: August 2018

Pakistan is experiencing the worst power shortage since 2007 ranging from
5000 to 7000 MW. This has led to introduction of load shedding program which has
caused economic loss @7% to the GDP. The indigenous oil reserves are poor and every
year crude oil and petroleum products costing US$ 15.473 billion are imported. The potential
of biomass energy is excellent, and Pakistan may generate 38000 GWh electricity
annually using 25% crops residue and 50% animal waste. Except for Punjab province survey
of crops biomass needs to be conducted to estimate the biomass resource potential in
the country. Based upon the data, the size of power plants can be determined, and site of
plants can be decided. Very few power plants have been installed by local industry under
captive mode and their experience is encouraging. The indigenous capacity building for
installation and operation of bio-mass based power plants are required. This paper reviews the power shortage
and its implications on economy of Pakistan. It also describes the biomass technologies, resource base and
power generation potential along with utilization status in Pakistan. It also discusses possible role of biomass
power in mitigating the energy crisis especially in the rural areas. Using only 20-25% of the estimated crops
waste of major crops and 50% of animal’s waste Pakistan can generate more than 36,000 GWh equivalent to
45% of the electricity consumption per annum. The crops residue alone can produce 11953 MW (31%) of the
power potential with 25% of the available crops residue.
Efficient and Regioselective Synthesis of Phenothiazine via Ferric Citrate Catalyzed C-S/C-N Cross-Coupling
Authors: Das Tonmoy Chitta , Quadri Syed Aziz Imam , Farooqui Mazahar
Published: August 2018

Efficient C-S and C-N cross-coupling reactions have been developed for regioselective, scalable
and environmentally benign synthesis of substituted phenothiazine derivatives. Cross-coupling reactions
were demonstrated on various challenging substrates using non-toxic, highly economical, readily
available ferric citrate as a catalyst to get desired product with high regioselectivity. Atom economy
is the added advantage of this protocol since additional N-protection step before coupling and eventual
deprotection of the same to obtain the desired product arenot required. To the best of our knowledge,
this is the first report on the use of inexpensive ferric citrate as a catalyst without involving any ligand
for the synthesis of regioselectively substituted phenothiazine.
Chemistry and Pharmacology of Acetanilide Derivatives: A Mini Review
Authors: Singh Rajib K. , Kumar Arvind , Mishra Arun K.
Published: August 2018

Acetanilide or N-phenylacetamide is an aromatic compound having phenyl ring attached to an acetamido group (–NHCOCH3). In 1886, acetanilide was introduced as an analgesic and antipyretic drug into medical practice by A. Cahn and P. Hepp. Since then, many acetanilide derivatives have been found to have antimicrobial, analgesic, anti-inflammatory, antipyretic, antioxidant, anticonvulsant, anti- cancer, antihyperglycaemic and antimalarial activities. Acetanilide also plays an important role in the synthesis of a number of chemicals as intermediates and precursors. The chief objective of the present article is to highlight the chemistry and pharmacological aspects of various derivatives of acetanilide and their pharmacological activities to assist the future discovery of more efficacious derivatives with less toxicity.
Insights Into the Explication of Potent Tyrosinase Inhibitors with Reference to Computational Studies
Authors: Parveen Naima , Ali Sharique Akhtar , Ali Ayesha Sharique
Published: August 2018

Background:

Pigment melanin has primarily a photo defensive role in human skin, its
unnecessary production and irregular distribution can cause uneven skin tone ultimately results in
hyper pigmentation. Melanin biosynthesis is initiated by tyrosine oxidation through tyrosinase, the
key enzyme for melanogenesis. Not only in humans, tyrosinase is also widely distributed in plants
and liable for browning of vegetables and fruits. Search for the inhibitors of tyrosinase have been
an important target to facilitate development of therapies for the prevention of hyperpigmentary
disorders and an undesired browning of vegetables and fruits.

Methods:

Different natural and synthetic chemical compounds have been tested as potential tyrosinase
inhibitors, but the mechanism of inhibition is not known, and the quest for information regarding
interaction between tyrosinase and its inhibitors is one of the recent areas of research. Computer
based methods hence are useful to overcome such issues. Successful utilization of in silico tools
like molecular docking simulations make it possible to interpret the tyrosinase and its inhibitor’s
intermolecular interactions and helps in identification and development of new and potent tyrosinase
inhibitors.

Results:

The present review has pointed out the prominent role of computer aided approaches for
the explication of promising tyrosinase inhibitors with a focus on molecular docking approach.
Highlighting certain examples of natural compounds whose antityrosinase effects has been evaluated
using computational simulations.

Conclusion:

The investigation of new and potent inhibitors of tyrosinase using computational
chemistry and bioinformatics will ultimately help millions of peoples to get rid of hyperpigmentary
disorders as well as browning of fruits and vegetables.
Cytotoxicity of Sodium Arsenite-loaded Anti-HER2 Immunoliposomes Against HER2-expressing Human Breast Cancer Cell Lines
Authors: Afrakhteh Moslem , Kheirollah Alireza , Pourshohod Aminollah , Ghaffari Mohammad Ali , Jamalan Mostafa , Zeinali Majid
Published: August 2018

Background:

Chemotherapy is a routine approach in treatment of patients with cancer,
while side effects of chemotherapeutic drugs are inevitable. To minimize side effects, specific targeting
of neoplastic cells is a promising strategy in cancer therapy. Sodium arsenite is a metalloid
toxin with anti-neoplastic properties, but low selectivity and carcinogenic activity have limited its
clinical usage.

Methods:

Targeting of HER2-overexpressing (SK-BR-3) and HER2-low expressing (MCF-7) cancerous
breast cell lines by two different liposomal forms of sodium arsenite (bare liposome and
trastuzumab-conjugated liposome) was investigated in the current study. Levels of HER2 expression
in the above mentioned cell lines were confirmed by western blotting. Size and morphology of
the constructed liposomes were characterized by atomic force microscopy (AFM) and dynamic light
scattering (DLS). Viability of the cells after treatment was assessed using MTT assay.

Results:

Sodium arsenite in the free and liposomal forms showed growth inhibitory effects against
both SK-BR-3 and MCF-7 cell lines in an examined concentration range of 1-20 µM, although this
effect was more significant in SK-BR-3 cell line. Loading of sodium arsenite in anti-HER2 immunoliposomes
significantly enhanced its cytotoxicity while the specificity was also improved. By
encapsulation of sodium arsenite in anti-HER2 immunoliposomes, its efficacy in ablation of SKBR-
3 cells was increased about 1.4-fold compared to the free or liposomal forms.

Conclusion:

In conclusion, targeted delivery of sodium arsenite using anti-HER2 immunoliposomes
can be considered as an alternative strategy for specific treatment of HER2-positive
breast cancers.
Synthesis and Biological Evaluation of Some Novel Thiophene-bearing Quinazoline Derivatives as EGFR Inhibitors
Authors: Zou Min , Jin Bo , Liu Yanrong , Chen Huiping , Zhang Zhuangli , Zhang Changzheng , Zhao Zhihong , Zheng Liyun
Published: August 2018

Background:

With the approval of gefitinib, erlotinib, afatinib, and osimertinib for clinical use, targeting Epidermal Growth Factor Receptor (EGFR) has been intensively pursued. Similar to most therapies, challenges related to the treatment resistance against these drugs have emerged over time, so new EGFR Tyrosine Kinase Inhibitors (TKIs) need to be developed. This study aimed to investigate the potential use of a series of thiophene-bearing quinazoline derivatives as EGFR inhibitors. We designed and synthesized nine quinazolin derivatives, among which five compounds (5e, 5f, 5g, 5h, and 5i) were reported for the first time.  Methods: Two cancer cell lines, A431 (overexpressing EGFR) and A549 (EGFR wild-type and Kras mutation), were treated by these compounds and subjected to MTT assay. The A431 cells were selected for further treatment (5e) and Western blot analysis.

Results:

Although the compounds exerted no obvious effects on the proliferation of A549 cells, seven out of the nine compounds significantly inhibited the growth of A431 cells. In particular, the IC50 values of 5e and erlotinib were nearly equal. Western blot results showed that 5e significantly inhibited EGFR autophosphorylation in A431 cells. Structure-activity relationships indicated that quinazolines bearing 6,7-side chains were more potent than those unsubstituted at the 6,7-positions. Moreover, electron-withdrawing hydrophobic groups on the 5-position of the thiophene were preferred, such as chlorine or bromine atom.

Conclusion:

Nine 4-aminoquinazolin derivatives were designed, synthesized, and evaluated against A431 and A549 cell lines. Seven compounds significantly inhibited the growth of A431 cells. In particular, 5e possessed similar antitumor potency to that of erlotinib.
Identification of New Inhibitors of Mutant Isocitrate Dehydrogenase 2 through Molecular Similarity-based Virtual Screening
Authors: Yang Lijun , Pusch Stefan , Jennings Victoria , Ma Tianfang , Zhu Qihua , Xu Yungen , von Deimling Andreas , Zha Xiaoming
Published: August 2018

Background:

Isocitrate dehydrogenase 2 (IDH2) is an enzyme catalyzing the oxidative decarboxylation of isocitrate to α-ketoglutarate (α-KG) in the tricarboxylic acid (TCA). Evidences suggest that the specific mutations in IDH2 are critical to the growth and reproduction of severe tumors especially leukemia and glioblastoma. It is found that the inhibitors of mutant IDH2 are promising anti-tumor therapeutics.

Methods:

A virtual screening strategy combining molecular similarity search and molecular docking was performed in the binding site of AGI-6780. YL-16, YL-17 and YL-18 were identified as novel mutant IDH2 inhibitors for the reduction of (D)-2-hydroxyglutarate in cellular evaluation. In addition, all the three compounds showed inhibition against IDH2-R172K mutated HEK-293T cells, while weak inhibition against wide-type IDH2 (WT-IDH2) HEK-293T cells.

Results:

Significantly, YL-17 showed 84.55% inhibitory activity against IDH2-R172K at 1 µM and weak cytotoxicity to wide-type IDH2 at 50 µM.

Conclusion:

YL-17 was highlighted as a new mutant IDH2 inhibitor that could be further developed for therapeutic applications.
Synthesis and Biological Activity of N-(arylsulfonyl) Valine Hydrazones and Assistance of NMR Spectroscopy for Definitive 3D Structure
Authors: Şenkardeş Sevil , Tatar Esra , Nepravishta Ridvan , Cela Dorisa , Paci Maurizio , Özakpınar Özlem Bingöl , Şekerler Turgut , De Clercq Erik , Pannecouque Christophe , Küçükgüzel Ş. Güniz , Küçükgüzel İlkay
Published: August 2018

Background:

Hydrazide-hydrazones constitute an important class of compounds for new drug development. In this study, a series of 39 new acylhydrazones (3-41), derived from (2S)-3-methyl- 2-[[(4-methylphenyl)sulfonyl]amino]butanoic acid hydrazide were synthesized with further aim to achieve biologically active acylhydrazones carrying an amino acid side chain.

Methods:

Compounds 3-41 were synthesized by microwave-assisted method. All synthesized compounds have been tested for their anti-HIV activity compound 21 was subjected to a new set of 2DNMR analysis for the characterization of the isomers in solution and determination of its 3D structure.

Results:

The IC50 values for compounds 2-40 were found between >125-10.90 µg/ml against HIV- 1(IIIB) and HIV-2(ROD) strains in MT-4 cells. Compounds 3, 6, 10, 12, 23, 24, 27, 32, and 37 with CC50 values between 10.90-14.50 µg/ml were selected to evaluate for their antileukemia activity. IC50 values for these mentioned compounds were found as >100μM on human chronic myelogenous leukemia, K562 cell line.

Conclusion:

Some compounds with IC50 values between 10.90-14.50 μg/ml will be of benefit in the development of novel leads.
Exploring Energy Profiles of Protein-Protein Interactions (PPIs) Using DFT Method
Authors: Bapat Sanket , Vyas Renu , Karthikeyan Muthukumarasamy
Published: August 2018

Background:

Large-scale energy landscape characterization of protein-protein interactions
(PPIs) is important to understand the interaction mechanism and protein-protein docking methods. The
experimental methods for detecting energy landscapes are tedious and the existing computational methods
require longer simulation time.

Objective:

The objective of the present work is to ascertain the energy profiles at the interface regions in
a rapid manner to analyze the energy landscape of protein-protein interactions.

Methods:

The atomic coordinates obtained from the X-ray and NMR spectroscopy data are considered
as inputs to compute cumulative energy profiles for experimentally validated protein-protein complexes.
The energies computed by the program were comparable to the standard molecular dynamics simulations.

Results:

The PPI Profiler not only enables rapid generation of energy profiles but also facilitates the
detection of hot spot residue atoms involved therein.

Conclusion:

The hotspot residues and their computed energies matched with the experimentally determined
hot spot residues and their energies which correlated well by employing the MM/GBSA method.
The proposed method can be employed to scan entire proteomes across species at an atomic level to
study the key PPI interactions.
Virtual Screening of Henna Compounds Library for Discovery of New Leads against Human Thymidine Phosphorylase, an Overexpressed Factor of Hand-Foot Syndrome
Authors: Khodabakhshi-Javinani Davood , Ebrahim-Habibi Azadeh , Afshar Minoo , Navidpour Latifeh
Published: August 2018

Background:

Capecitabine is one of the most effective and successful drugs for the
treatment of uterine and colorectal cancer which has been limited in use due to occurrence of handfoot
syndrome (HFS). Overexpression of human thymidine phosphorylase enzyme is predicted to be
one of the main causes of this syndrome. Thymidine phosphorylase enzyme is involved in many
cancers and inflammatory diseases and pyrimidine nucleoside phosphorylase family is found in a
variety of organisms. Results of clinical studies have shown that topical usage of henna plant
(Lawsonia inermis from the family of Lythraceae) could reduce the severity of HFS.

Methods:

By using in silico methods on reported compounds of henna, the present study is aimed at
finding phytochemicals and chemical groups with the potential to efficiently interact with and inhibit
human thymidine phosphorylase. Various compounds (825) of henna from different chemical groups
(138) were virtually screened by the interface to AutoDock in YASARA Software package, against the
enzyme structure obtained from X-ray crystallography and refined by homology modeling methods.

Results:

By virtual screening, i.e. docking of candidate ligands into the determined active site of hTP,
followed by applying the scoring function of binding affinity, 71 compounds (out of 825 compounds)
were estimated to have the likelihood to bind to the protein with an interaction energy higher than 10
kcal/mol (Concerning the sign of “binding energies”, please refer to the Methods section).

Conclusion:

Finally, diosmetin-3'-O-β-D-glucopyranoside (#219) and monoglycosylated naphthalene
were respectively selected as the most potent phytochemicals and chemical groups. Flavonoid-like
compounds with appropriate interaction energy were also considered as the most probable inhibitors.
More investigations on henna compounds, are needed in order to approve their effectiveness and also
to explore more anti-cancer, anti-inflammatory, anti-angiogenesis and even antibiotics.