Regression modelling strategies for projected and sustainable kraft pulping of wheat straw.

The demand for paper and paper-based packaging has seen a massive increase in past years, resulting in accelerated deforestation to meet the rising demand, negatively impacting the environment, and there is a need to look towards different non-woody raw materials. Kraft pulping (KP) is widely used in paper making, for which the chemical dose, temperature, time, and energy required must be optimized, for which many insignificant experimental trials are performed. An effort is made to solve this problem by developing the regression equations with the help of Excel using One Factor at a Time Analysis (OFAT), followed by carrying out design of experiments (DoE) using orthogonal approach and regression analysis in Minitab software. Life cycle Assessment (LCA) using the Open-LCA software estimates the effect of chemicals and energy required during pulping on human health, ecosystem quality, and resource depletion. Using regression analysis, the equations for predicting kappa number, yield (%), total energy consumed, and mechanical properties of the paper sheet showed a good fit with an R2 value in the range of 0.90-0.99. Apart from that, the mechanical properties, namely tensile index (41.43 Nm/g), tear index (6.96 mN m2/g), bending stiffness (0.5 mN m), and burst index (3.92 kPa m2/g) of the unbeaten sheet, were determined experimentally at optimized conditions. Based on the Open-LCA result, the optimized pulping conditions had less impact on human health, ecosystem quality, and resource depletion. Industries can use the model to predict the values of kappa number, yield, mechanical properties, and energy consumption without performing optimization experiments that may impact the industry's economy to a greater extent.

UiO-66-NH2: a recyclable and efficient sorbent for dispersive solid-phase extraction of fluorinated aromatic carboxylic acids from aqueous matrices.

The present study describes the trace analysis of 23 fluorinated aromatic carboxylic acids based on the dispersive solid-phase extraction (dSPE) technique using UiO-66-NH2 MOF as efficient, recyclable sorbent, and GC-MS negative ionization mass spectrometry (NICI MS) as determination technique. All 23 fluorobenzoic acids (FBAs) were enriched, separated, and eluted in a shorter retention time; the derivatization was done by pentafluorobenzyl bromide (1% in acetone), in which the use of inorganic base K2CO3 was improved by triethylamine to increase the lifespan of the GC column. The performance of UiO-66-NH2 was evaluated by dSPE in Milli-Q water, artificial seawater, and tap water samples, and the impact of various parameters on the extraction efficiency was investigated by GC-NICI MS. The method was found to be precise, reproducible, and applicable to the seawater samples. In the linearity range, the regression value was found to be >0.98; LOD and LOQ were found to be in the range of 0.33-1.17 ng/mL and 1.23-3.33 ng/mL, respectively; and the value of the extraction efficiency was found to range between 98.45 and 104.39% for Milli-Q water samples, 69.13-105.48% for salt-rich seawater samples, and 92.56-103.50% for tap water samples with a maximum RSD value of 6.87% that confirms the applicability of the method to different water matrices.

Advances in the analytical methods for the determination of fluorinated aromatic carboxylic acids in aqueous matrices: A review.

Fluorobenzoic acids are critically important chemical tracers in hydrothermal, geothermal, leaching, and oilfield applications. Particularly in oilfield applications, these tracers are used to investigate fluid flow paths between injector wells and producer wells, providing valuable information about the enhanced oil recovery process of the oil reservoirs. The detection limit of tracers is a vital subject in field reservoir work because the amount of chemical tracer that must be injected into the injector well is directly related to the amount detected at the producer well after migration and diffusion. The popularity of fluorinated benzoic acids as the tracers is due to their non-toxicity over radioactive tracers and low detection limit, which is determined using analytical techniques. This review focuses on the improvements/developments in extraction techniques such as solid-phase extraction and determination techniques such as gas chromatography coupled with mass spectrometry, liquid chromatography with mass spectrometry, isotope dilution gas chromatography-mass spectrometry, high-performance liquid chromatography, ion chromatography coupled with electrospray mass spectrometry, and so on for the analysis of fluorinated benzoic acids to achieve the lowest possible limit of concentration.

Prolonged Perioperative Use of Pregabalin and Ketamine to Prevent Persistent Pain after Cardiac Surgery.

BACKGROUND: Persistent postsurgical pain is common and affects quality of life. The hypothesis was that use of pregabalin and ketamine would prevent persistent pain after cardiac surgery. METHODS: This randomized, double-blind, placebo-controlled trial was undertaken at two cardiac surgery centers in the United Kingdom. Adults without chronic pain and undergoing any elective cardiac surgery patients via sternotomy were randomly assigned to receive either usual care, pregabalin (150 mg preoperatively and twice daily for 14 postoperative days) alone, or pregabalin in combination with a 48-h postoperative infusion of intravenous ketamine at 0.1 mg · kg · h. The primary endpoints were prevalence of clinically significant pain at 3 and 6 months after surgery, defined as a pain score on the numeric rating scale of 4 or higher (out of 10) after a functional assessment of three maximal coughs. The secondary outcomes included acute pain, opioid use, and safety measures, as well as long-term neuropathic pain, analgesic requirement, and quality of life. RESULTS: In total, 150 patients were randomized, with 17 withdrawals from treatment and 2 losses to follow-up but with data analyzed for all participants on an intention-to-treat basis. The prevalence of pain was lower at 3 postoperative months for pregabalin alone (6% [3 of 50]) and in combination with ketamine (2% [1 of 50]) compared to the control group (34% [17 of 50]; odds ratio = 0.126 [0.022 to 0.5], P = 0.0008; and 0.041 [0.0009 to 0.28], P < 0.0001, respectively) and at 6 months for pregabalin alone (6% [3 of 50]) and in combination with ketamine 0% (0 of 5) compared to the control group (28% [14 of 50]; odds ratio = 0.167 [0.029 to 0.7], P = 0.006; and 0.000 [0 to 0.24], P < 0.0001). Diplopia was more common in both active arms. CONCLUSIONS: Preoperative administration of 150 mg of pregabalin and postoperative continuation twice daily for 14 days significantly lowered the prevalence of persistent pain after cardiac surgery.

Molecular Dynamics Simulations for Deciphering the Structural Basis of Recognition of Pre-let-7 miRNAs by LIN28.

LIN28 protein inhibits biogenesis of miRNAs belonging to the let-7 family by binding to precursor forms of miRNAs. Overexpression of LIN28 and low levels of let-7 miRNAs are associated with several forms of cancer cells. We have performed multiple explicit solvent molecular dynamics simulations ranging from 200 to 500 ns in length on different isoforms of preE-let-7 in complex with LIN28 and also in isolation to identify structural features and key specificity-determining residues (SDRs) that are important for the inhibitory role of LIN28. Our simulations suggest that a conserved structural feature of the loop regions of preE-let-7 miRNAs is more important for LIN28 recognition than sequence conservation among members of the let-7 family or the presence of the GGAG motif in the 3' region. The loop region consisting of a minimum of five nucleotides helps pre-miRNAs to acquire a conformation ideal for binding to LIN28, but pre-let-7c-2 prefers a conformation with a three-nucleotide loop. Thus, our simulations provide a theoretical rationale for the recent experimental observation of the escape of LIN28-mediated repression by pre-let-7c-2. The essential structural and sequence features highlighted in this study might aid in designing synthetic small molecule inhibitors for modulating LIN28-let-7 interaction in malignant cells. We have also identified crucial SDRs of the LIN28-preE-let-7 complex involving 13 residues of LIN28 and 10 residues of the pre-miRNA. On the basis of the conservation profile of these 13 SDRs, we have identified 10 novel proteins that are not annotated as LIN28 like but are similar in sequence, domain, or fold level to LIN28.

Green Technology for the Removal of Chloro-Organics from Pulp and Paper Mill Wastewater.

This study evaluates the treatment efficiency of a horizontal subsurface-flow constructed wetland (HSSF-CW) for the removal of chloro-organic compounds from pulp and paper mill wastewater. The surface area of the HSSF-CW unit was 5.25 m² and was planted with Colocasia esculenta. The wastewater was characterized for different chloro-organic compounds, that is, adsorbable organic halides (AOX), chlorophenolics, and chlorinated resin and fatty acids (cRFAs). Under a hydraulic retention time of 5.9 days, the average AOX, chlorophenolics, and cRFA removal from wastewater was 87, 87, and 93%, respectively. Some of the chlorophenolics were found to accumulate in the plant biomass and soil material. The mass balance studies show that a significant fraction of chlorophenolics and cRFA was degraded in the constructed wetland system. Modeling studies were carried out to estimate the first-order area-based removal rate constants (k) for chemical oxygen demand removal. The HSSF-CW was found to be an effective treatment technology for the remediation of pulp and paper mill wastewater.

Corrosivity of paper mill effluent and corrosion performance of stainless steel.

Present study relates to the corrosivity of paper mill effluent and corrosion performance of stainless steel (SS) as a construction material for the effluent treatment plant (ETP). Accordingly, immersion test and electrochemical polarization tests were performed on SS 304 L, 316 L and duplex 2205 in paper mill effluent and synthetic effluent. This paper presents electrochemical polarization measurements, performed for the first time to the best of the authors' information, to see the influence of chlorophenols on the corrosivity of effluents. The corrosivity of the effluent was observed to increase with the decrease in pH and increase in Cl- content while the addition of SO4- tends to inhibit corrosion. Mill effluent was found to be more corrosive as compared to synthetic effluent and has been attributed to the presence of various chlorophenols. Corrosion performance of SS was observed to govern by the presence of Cr, Mo and N contents.

Utilization of Ananas comosus Crown Residue Husk as a Sustainable Strength Additive for EPR/LDPE Blend Composites.

The utilization of waste generated by natural resources is a crucial problem nowadays. The current study describes the utilization of pineapple (Ananas comosus) crown residue husk (PCRh) as a strength additive for low-density polyethylene (LDPE) and ethylene propylene rubber (EPR) composites. The blend composites with 30% husk, 10 wt % EPR, and 60% LDPE content showed much better mechanical properties, such as tensile strength and flexural properties, than pristine LDPE and its binary composite with 10 wt % EPR. The high tensile strength (∼19.28 MPa) and tensile modulus (522.97 MPa) were obtained for the composite consisting of 30 wt % PCRh in the basic polymer matrix. Similarly, the highest flexural strength (∼18.09 MPa) and modulus (∼790.29 MPa) were recorded for the same composition. The incorporation of PCRh with LDPE and EPR was further characterized by attenuated total reflection-Fourier transform infrared, differential scanning calorimetry, field emission scanning electron microscopy, dynamic mechanical analysis, and a universal testing machine to evaluate its impact on various properties.

Removal of chlorophenolics from pulp and paper mill wastewater through constructed wetland.

This study evaluates the treatment efficiency of horizontal subsurface flow (HSSF) constructed wetland for the removal of AOX (adsorbable organic halides) and chlorophenolics from pulp and paper mill wastewater. The dimensions of HSSF constructed wetland were 3.5 m in length, 1.5 m in width, and 0.28 m in depth, with surface area of 5.25 m2. The HSSF constructed wetland unit was planted with an ornamental plant species, Canna indica. Under hydraulic retention time (HRT) of 5.9 days, the average AOX removal was 89.1%, and 67% to 100% removal of chlorophenolics from pulp and paper mill wastewater was achieved. The complete removal of 2,3-dichlorophenol, 3,4-dichlorophenol, 2,3,5-trichlorophenol, 2,4,6-trichlorophenol, 3,5-dichlorocatechol, 3,6-dichlorocatechol, and 4,5,6-trichloroguaiacol was observed. Some of the chlorophenolics were found to accumulate in the plant biomass and soil. The evapotranspiration rate varied from 6.7 to 12.7 mm day(-1) during the experimental period. The mass balance of chlorophenolics was also studied in constructed wetland system.

Degradation of paper products due to volatile organic compounds.

Paper and packaging materials a lignocellulose-based natural biodegradable polymer that spontaneously releases acetic acid, aldehydes, alcohol, and ester-based volatile organic compounds (VOCs) upon ageing and these VOCs start degrading the paper products and decline their mechanical strength properties. The reactivity of the paper of unbleached wheat straw pulp towards acetic acid and hexanal, which has been proven to have more degrading effects on paper than other VOCs, was considered in this work. The papers were exposed to these volatile compounds for 90 days in an air-tight vessel under ambient environmental conditions. The results showed that hexanal was more destructive than acetic acid with regards to cellulose degradation and depletion in the mechanical strength properties. The paper properties like, tensile, tear and burst index, viscosity, pH and carbonyl group content was measured. The growth of the carbonyl group, evidence of the ageing effects in the paper, detected more in the paper exposed to acetic acid. However, the strength of paper properties declined more with hexanal. FE-SEM analysis of the sample showed the development of pores and damage of cellulose fibre upon ageing. Similarly, the damaging effects of VOCs on cellulose, hemicelluloses and lignin were confirmed by significantly reduced peak detection through FT-IR \analysis. The high crystallinity index of the paper products due to exposure to VOCs was detected by XRD analysis, which confirmed the degradation of the low molecular weight cellulose molecule. Thus, the results are strongly recommended that VOCs that generates due to natural or artificial ageing could be the leading cause of paper degradation.

Esterification of fluorinated aromatic carboxylic acids with methanol by using UiO-66-NH2 as a heterogeneous catalyst and process optimization by the Taguchi method.

Fluorobenzoic acids (FBAs) are used as chemical tracers in enhanced oil recovery and reduction in their limit of detection is a crucial issue. GC-MS is a versatile tool to detect and quantify FBAs at very low limits of concentration, but they require esterification prior to analysis by GC-MS. The present article presents a study of the catalytic methyl esterification of fluorinated aromatic carboxylic acids (FBAs) using methanol as methyl source and UiO-66-NH2 as a heterogeneous catalyst. The reaction time was reduced to 10 hours which is a 58% reduction in time over the traditional BF3·MeOH complex as derivatizing agent. The yield of the esterification reaction was evaluated with respect to the BF3-MeOH complex and determined by GC-EI-MS. The catalytic procedure was optimized by the Taguchi model with a 99.99% fit. Good catalytic performance was observed for 23 different isomers of fluorinated aromatic acids showing a relative conversion yield of up to 169.86%, which reduced the detection limit of FBAs up to 2.60 ng mL-1.

Recent update of the various sources originating ghost peaks in gas chromatography: A review.

Gas chromatography (GC) is a versatile tool for separating various volatile, semi-volatile, and thermally stable compounds. However, the ghost peaks in the GC are now a major concern for chromatographic analysts. Ghost peaks may interfere with the analyte, leading to inaccurate results, so identifying the sources generating these peaks is essential for the validated analysis of the compounds of interest. This review compiles various sources responsible for generating ghost peaks in the GC and their possible troubleshooting methods for the smooth and consistent running of the ghost peak-free gas chromatography system, which will be very helpful for rapid and validated analysis.

Sequence- and structure-based analysis of proteins involved in miRNA biogenesis.

miRNA biogenesis is a multistage process for the generation of a mature miRNA and involves several different proteins. In this work, we have carried out both sequence- and structure-based analysis for crucial proteins involved in miRNA biogenesis, namely Dicer, Drosha, Argonaute (Ago), and Exportin-5 to understand evolution of these proteins in animal kingdom and also to identify key sequence and structural features that are determinants of their function. Our analysis reveals that in animals the miRNA biogenesis pathway first originated in molluscs. The phylogeny of Dicer and Ago indicated evolution through gene duplication followed by sequence divergence that resulted in functional divergence. Our detailed structural analysis also revealed that RIIIDb domains of Drosha and Dicer, share significant similarity in sequence, structure, and substrate-binding pocket. On the other hand, PAZ domains of Dicer and Ago show only conservation of the substrate-binding pockets in the catalytic sites despite significant divergence in sequence and overall structure. Based on a comparative structural analysis of all four human Ago proteins (hAgo1-4) and their known biochemical activity, we have also attempted to identify key residues in Ago2 which are responsible for the unique slicer activity of hAgo2 among all isoforms. We have identified six key residues in N domain of hAgo2, which are located far away from the catalytic pocket, but might be playing a major role in slicer activity of hAgo2 protein because of their involvement in mRNA binding.

First evidence of the conversion of paracetamol to AM404 in human cerebrospinal fluid.

Paracetamol is arguably the most commonly used analgesic and antipyretic drug worldwide, however its mechanism of action is still not fully established. It has been shown to exert effects through multiple pathways, some actions suggested to be mediated via N-arachidonoylphenolamine (AM404). AM404, formed through conjugation of paracetamol-derived p-aminophenol with arachidonic acid in the brain, is an activator of the capsaicin receptor, TRPV1, and inhibits the reuptake of the endocannabinoid, anandamide, into postsynaptic neurons, as well as inhibiting synthesis of PGE2 by COX-2. However, the presence of AM404 in the central nervous system following administration of paracetamol has not yet been demonstrated in humans. Cerebrospinal fluid (CSF) and blood were collected from 26 adult male patients between 10 and 211 minutes following intravenous administration of 1 g of paracetamol. Paracetamol was measured by high-performance liquid chromatography with UV detection. AM404 was measured by liquid chromatography-tandem mass spectrometry. AM404 was detected in 17 of the 26 evaluable CSF samples at 5-40 nmol⋅L-1. Paracetamol was measurable in CSF within 10 minutes, with a maximum measured concentration of 60 µmol⋅L-1 at 206 minutes. This study is the first to report on the presence of AM404 in human CSF following paracetamol administration. This may represent an important finding in our understanding of paracetamol's mechanism of action, although measured concentrations were far below the previously documented IC50 for this metabolite.

'Simplicity' radiofrequency neurotomy of sacroiliac joint: a real life 1-year follow-up UK data.

BACKGROUND: Sacroiliac joint (SIJ) pain is considered to be the third most common cause of low back pain with the prevalence of 13-25% in all low back pain patients. Its diagnosis and treatment remain a challenge with the poor evidence base for interventional procedures. Patients with SIJ pain experience a low quality of life, worse than some of the chronic health conditions. Simplicity radiofrequency (RF) neurotomy is a novel technique which tackles some of the problems faced by conventional RF neurotomy and may offer better results in managing pain arising from SIJ. AIM: The purpose of this retrospective review of practice was to look into the effectiveness of Simplicity RF neurotomy in terms of pain relief, quality of health improvement in patients suffering from SIJ pain and complications associated with the procedure. METHODOLOGY: Retrospective review of the patients undergoing Simplicity RF neurotomy at a tertiary hospital (April 2012 to June 2013). Pain scores and responses to SF (Short Form) 12 questionnaire before and at 12 months after treatment were compared using the Wilcoxon signed-rank test. RESULTS: Out of 26 patients, 16 were considered for analysis. There was statistically significant reduction in both mean pain score (Numerical Rating Scale, NRS from 8.8 pre-intervention to 4.3 post-intervention) and median pain score (NRS from 9 pre-intervention to 5 post-intervention) with a p-value of <0.001 at 12 months. Reduction in the inter-quartile range of pain score was observed from 8-10 to 2.25-6 (p-value of <0.001). Global health as per SF12 scores showed statistically significant improvement, except in some of the psychological subcategories. The procedure-related pain was the only complication noted. CONCLUSION: From our data, we can conclude that Simplicity RF neurotomy of lateral branches of S1-S3 along with conventional RF denervation of L5 dorsal ramus may improve pain scores and many components of global health in carefully selected patients.