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Bullo Saifullah,1,2 Palanisamy Arulselvan,3,4 Mohamed E El Zowalaty,3,5 Woan Sean Tan,3 Sharida Fakurazi,6 Thomas J Webster,7 Rabia Baby,1 Mohd Zobir Hussein1 1Materials Synthesis and Characterization Laboratory, Institute of Advanced Technology (ITMA), Universiti Putra Malaysia, Serdang, Selangor, Malaysia; 2Department of Management Sciences and Technology, The Begum Nusrat Bhutto Women University Sukkur, Sukkur, Sindh, 65170, Pakistan; 3Laboratory for Vaccine and Immunotherapeutics, Institute of Biosciences, University Putra Malaysia, Serdang, Selangor, 43400, Malaysia; 4Muthayammal Centre for Advanced Research, Muthayammal College of Arts and Science, Namakkal, Tamil Nadu, 637408, India; 5Zoonosis Science Center, Department of Microbiology and Immunology, Uppsala University, Uppsala, Sweden; 6Department of Human Anatomy, Faculty of Medicine and Health Science, Universiti Putra Malaysia, Serdang, Selangor, Malaysia; 7Department of Chemical Engineering, Northeastern University, Boston, MA, USACorrespondence: Mohd Zobir HusseinMaterials Synthesis and Characterization Laboratory, Institute of Advanced Technology, (ITMA), Universiti Putra Malaysia, Serdang, Selangor, MalaysiaTel +60 397698092Email mzobir@upm.edu.myIntroduction: Mycobacterium tuberculosis infections are associated with severe local inflammatory reactions, which may be life-threatening and lead to tuberculosis pathogenesis and associated complications. Inorganic nanolayers have been vastly exploited for biomedical applications (especially in drug delivery) because of their biocompatible and biodegradable nature with the ability to release a drug in a sustained manner. Herein, we report a new nanodelivery system of inorganic nanolayers based on magnesium layered hydroxides (MgLH) and a successfully intercalated anti-tuberculosis drug para-aminosalicylic acid (PAS).Methods: The designed anti-tuberculosis nanodelivery composite, MgLH-PAS, was prepared by a novel co-precipitation method using MgNO3 as well MgO as starting materials.Results: The designed nano-formulation, PAS-MgLH, showed good antimycobacterial and antimicrobial activities with significant synergistic anti-inflammatory effects on the suppression of lipopolysaccharide (LPS) stimulated inflammatory mediators in RAW 264.7 macrophages. The designed nano-formulation was also found to be biocompatible with human normal lung cells (MRC-5) and 3T3 fibroblast cells. Furthermore, the in vitro release of PAS from PAS-MgLH was found to be sustained in human body simulated phosphate buffer saline (PBS) solutions of pH 7.4 and pH 4.8.Discussion: The results of the present study are highly encouraging for further in vivo studies. This new nanodelivery system, MgLH, can be exploited in the delivery of other drugs and in numerous other biomedical applications as well.Keywords: Mycobacterium tuberculosis, magnesium layered hydroxides, biomaterial, sustained release, anti-tuberculosis, anti-inflammatory

Background: The present study is aimed to investigate the anti-inflammatory activities of thirteen substituted-isoxazole derivatives (5a–5m). Isoxazole is a key pharmacophore in medicinal chemistry, known for its broad range of pharmacological activities.This study explores the synthesis and anti-inflammatory potential of thirteen substituted-isoxazole derivatives (5a–5m), with 5c, 5d, 5e, and 5g being novel compounds. Objectives: The primary objectives were to synthesize some novel substituted isoxazole derivatives, evaluate their interaction with cyclooxygenase (COX-1/2) enzymes through computational methods, and assess their anti-inflammatory effectiveness in laboratory animals. Methods: Substituted chalcones (0.01 mol) (2a-2m), sodium ethoxide (0.01 mol), and hydroxylamine hydrochloride (0.01 mol) were dissolved in absolute ethanol (15 ml), and then the mixture was refluxed for 6 h in an oil bath and monitored by TLC (ethyl acetate:hexane 7:3 v/v as eluent; a UV lamp was used to visualize the plates). After the completion of the reaction, as per TLC, the contents of the reaction mixture were poured into ice-cold water (50 ml). The obtained precipitates were filtered, washed two times, dried for 2 h at room temperature, and then recrystallized with ethenol. The structures of these compounds were confirmed via Fourier transform infrared spectroscopy (FT-IR), proton nuclear magnetic resonance (1H NMR) spectroscopy, carbon-13 nuclear magnetic resonance (13C NMR) spectroscopy, and mass spectrometry. Anti-inflammatory activity was evaluated using the carrageenan-induced rat paw edema method. Results: The results indicated that three compounds (5b, 5c, and 5d) demonstrated significant in vivo anti-inflammatory potential (% edema inhibition 75.68, 74.48, & 71.86 in 2 h and 76.71, 75.56, & 72.32 in 3 h) with modest effectiveness (0.83, 0.81 & 0.71), low toxicity, and minimal adverse effects. The molecular docking analyses further elucidated the interaction with the active site COX-2 enzyme (PDB ID: 4COX) using Autodock Vina. The compounds 5b, 5c, and 5d −8.7, −8.5, and −8.4 indicate good binding affinity (kcal/mol) and H-bond interaction with residues such as Cys41, Ala151, and Arg120 for COX-2, which also carried out RMSD values of 2.174, 41.13, and 22.25, which are decisive for the reported anti-inflammatory activity of diverse compounds. Conclusions: The findings indicate that isoxazole derivatives have modest antiinflammatory potential, with compounds (5b, 5c, and 5d) acting as lead molecules to be studied further for pain relief with fewer adverse effects.

Honey is a high-demand product in many countries because it is high in nutritional value and rich in antioxidants. Thus, the demand for honey is increased. However, the productivity of honey is naturally lower than its demand. Therefore, honey has often become a target for adulteration. Adulteration of honey is a critical issue because the nutritional value of pure honey is reduced by adding cheap and easily available sweeteners, affecting the consumers’ health. Thus, investigating honey authenticity is popular among regulatory bodies, the food industry, retail sellers, and consumers. Several works have been done to predict the authenticity of honey using various physicochemical features. Few other works have also classified honey on the basis of geographical or botanical origin. However, previous studies have three major limitations. First, the existing studies used the imbalanced datasets, and the performance of these studies further needs attention. Second, as far as we know, no researcher has attempted to use machine learning approaches in investigating the adulteration of Pakistani honey. Finally, the dataset for predicting the authenticity of Pakistani honey is lacking. Therefore, this study proposes a novel classification model to address the aforementioned weaknesses by classifying the authenticity of Pakistani honey using machine learning algorithms and several physicochemical features. This work also presents three classification models systematically to classify the Pakistani honey into three levels. The first level classifies whether the honey is original or branded. The second level classifies the geographical origin. The botanical origin of honey is classified in the third level. Our experimental results show that the proposed features coupled with machine learning algorithms can predict the authenticity of Pakistani honey with outstanding results. We believe that our proposed work will be proved beneficial in reducing the adulteration of Pakistani honey.

Copper-supported novel, facile and efficient methods for the synthesis of various 2-amino-benzoxazoles and 2,5-diphenyltetrazoleamines have been demonstrated. The reaction procedures are simple, with excellent substrate tolerance in good to high yields thus paving an excellent and useful way to establish a library of potentially active drug molecules. This methodology represents the first concept of copper-catalyst promoted domino C-N cross-coupling reaction towards the construction of 2-aminobenzoxazoles. In addition, we described report for the synthesis of 2,5-diaryltetrazoleamines using copper via inter molecular C-N cross-coupling reaction with aryl iodides. The proposed reaction mechanism involves copper based desulphurization/nucleophilic substitution and subsequent C-N cross-coupling reactions. We established numerous applications of this methodology for synthesizing diverse heterocyclic derivatives i.e. both electron rich and electron deficient systems. Keywords: Desulfurization, Nucleophilic substitution, Copper catalyst, Mono/domino C-N cross-coupling reaction, Heterocyclic compounds

Objectives: Estrogen-related-receptor α (ERRα) plays a critical role in the transcriptional regulation of cellular bioenergetics and metabolism, and perturbations in its activity have been associated with metabolic diseases. While several coactivators and corepressors of ERRα have been identified to date, a knowledge gap remains in understanding the extent to which ERRα cooperates with coregulators in the control of gene expression. Herein, we mapped the primary chromatin-bound ERRα interactome in mouse liver., Methods: RIME (Rapid Immuno-precipitation Mass spectrometry of Endogenous proteins) analysis using mouse liver samples from two circadian time points was used to catalog ERRα-interacting proteins on chromatin. The genomic crosstalk between ERRα and its identified cofactors in the transcriptional control of precise gene programs was explored through cross-examination of genome-wide binding profiles from chromatin immunoprecipitation-sequencing (ChIP-seq) studies. The dynamic interplay between ERRα and its newly uncovered cofactor Host cell factor C1 (HCFC1) was further investigated by loss-of-function studies in hepatocytes., Results: Characterization of the hepatic ERRα chromatin interactome led to the identification of 48 transcriptional interactors of which 42 were previously unknown including HCFC1. Interrogation of available ChIP-seq binding profiles highlighted oxidative phosphorylation (OXPHOS) under the control of a complex regulatory network between ERRα and multiple cofactors. While ERRα and HCFC1 were found to bind to a large set of common genes, only a small fraction showed their colocalization, found predominately near the transcriptional start sites of genes particularly enriched for components of the mitochondrial respiratory chain. Knockdown studies demonstrated inverse regulatory actions of ERRα and HCFC1 on OXPHOS gene expression ultimately dictating the impact of their loss-of-function on mitochondrial respiration., Conclusions: Our work unveils a repertoire of previously unknown transcriptional partners of ERRα comprised of chromatin modifiers and transcription factors thus advancing our knowledge of how ERRα regulates metabolic transcriptional programs., Competing Interests: Declaration of competing interest The authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper., (Copyright © 2024 The Author(s). Published by Elsevier GmbH.. All rights reserved.)

A series of benzotrithiophene-based compounds ( DCTM1 - DCTM6 ) having D 1 -π 1 -D 2 -π 2 -A configuration were designed using a reference molecule ( DCTMR ) via incorporating pyrrole rings ( n = 1-5) as the π-spacer (π 2 ). Quantum chemical calculations were performed to determine the impact of the pyrrole ring on the nonlinear optical (NLO) behavior of the above-mentioned chromophores. The optoelectronic properties of the compounds were determined at the MW1PW91/6-311G(d,p) functional. Among all of the derivatives, DCTM5 exhibited the least highest occupied molecular orbital-lowest unoccupied molecular orbital (HOMO-LUMO) band gap ( E g ) 0.968 eV with a high softness of 0.562 eV -1 , and hence possessed the highest polarizability. Interestingly, transition density matrix (TDM) findings demonstrated that DCTM5 with an effective diagonal charge transmission proportion at the acceptor group supports the frontier molecular orbital (FMO) results. Additionally, the exciton binding energy values for DCTM1 - DCTM6 were found to be less than that for DCTMR and thus, the effective charge transfer was examined in the derivatives. All of the derivatives exhibited effective NLO outcomes with the highest magnitude of linear polarizability ⟨α⟩, and first (β tot ) and second (γ tot ) hyperpolarizabilities relative to the parent compound. Nevertheless, the highest β tot and γ tot were obtained for DTCM1 and DTCM6 , 7.0440 × 10 -27 and 22.260 × 10 -34 esu, respectively. Hence, through this structural tailoring with a pyrrole spacer, effective NLO materials can be obtained for optoelectronic applications., Competing Interests: The authors declare no competing financial interest., (© 2023 The Authors. Published by American Chemical Society.)

Fullerene free organic chromophores are widely utilized to improve the efficacy of photovoltaic materials. Herein, we designed D-π-A-π-D form chromophores (TAZD1-TAZD5) via end-capped redistribution of donor moieties by keeping the same π-bridge and central acceptor unit for organic solar cells (OSCs). To analyze the photovoltaic characteristics of these derivatives, DFT estimations were accomplished at B3LYP/6-311 G (d,p) functional. Different investigations like frontier molecular orbital (FMO), absorption spectra (UV-Vis), density of states (DOS), binding energy (E b ), open circuit voltage (V oc ), and transition density matrix (TDMs) were performed to examine the optical, photophysical and electronic characteristics of afore-mentioned chromophores. A suitable band gap (∆E = 2.723-2.659 eV) with larger bathochromic shift (λ max  = 554.218-543.261 nm in acetonitrile) was seen in TAZD1-TAZD5. An effective charge transference from donor to acceptor via spacer was observed by FMO analysis which further supported by DOS and TDM. Further, lower binding energy values also supported the higher exciton dissociation and greater CT in TAZD1-TAZD5. Among all the designed chromophores, TAZD5 exhibited the narrowest E gap (2.659 eV) and maximum red-shifted absorption in solvent as well as gas phase i.e. 554.218 nm and 533.219 nm, respectively which perhaps as a result of the phenothiazine-based donor group (MPT). In a nutshell, all the tailored chromophores can be considered as efficient compounds for promising OSCs with a good V oc response, interestingly, TAZD5 is found to be excellent chromophores as compared to all these designed compounds., (© 2023. Springer Nature Limited.)

Five new difluorinated biphenyl compounds, 4'-(tert-butyl)-3,4-difluoro-1,1'-biphenyl (TBDFBP) , 1-(3',4'-difluoro-[1,1'-biphenyl]-4-yl)ethanone (DFBPE) , 3',4'-difluoro-2,5-dimethoxy-1,1'-biphenyl (DFDMBP) , 3,4-difluoro-3'-nitro-1,1'-biphenyl (DFNBP) , and (3',4'-difluoro-[1,1'-biphenyl]-3-yl)(methyl)sulfane (DFBPMS) , have been successfully synthesized by the well-known Suzuki-Miyaura coupling with excellent yields averaging 78%. UV-visible, Fourier transform infrared ,and 13 C NMR and 1 H NMR spectroscopies along with single-crystal X-ray diffraction (SC-XRD) analysis (for TBDFBP and DFBPE) were used for the structure elucidation of the synthesized compounds. The SC-XRD results demonstrated the crystal systems of the studied compounds, TBDFBP and DFBPE , to be monoclinic, and their space groups were found to be P 2 1 / c . Also, a detailed density functional theory study was performed. The calculated structures for TBDFBP and DFBPE were found to agree quite well with the experimental results. The natural bonding orbital charge analysis suggested that molecules of these compounds should interact quite noticeably with each other in the solid phase and with polar solvent molecules. Molecular electrostatic potential analysis suggests that accumulation of positive and negative potential implies possibility of quite significant dipole-dipole intermolecular interactions in crystals of these compounds, as well as quite strong interactions with polar solvent molecules. The global reactivity parameters analysis suggests all compounds to be quite stable in redox reactions, with the compound DFNBP being relatively more reactive and the compounds TBDFBP and DFDMBP being relatively more stable., Competing Interests: The authors declare no competing financial interest., (© 2023 The Authors. Published by American Chemical Society.)

Organic compounds exhibit significant nonlinear optical (NLO) properties and can be utilized in various areas like optical parameters, fiber optics, and optical communication. Herein, a series of chromophores ( DBTD1-DBTD6 ) with an A-π 1 -D 1 -π 2 -D 2 framework was derived from a prepared compound ( DBTR ) by varying the structure of π-spacer and terminal acceptor. The DBTR and its investigated compounds were optimized at the M06/6-311G(d,p) level of theory. Frontier molecular orbitals (FMOs), nonlinear optical (NLO) properties, global reactivity parameters (GRPs), natural bonding orbital (NBO), transition density matrix (TDM), molecular electrostatic potential (MEP), and natural population analysis (NPA) were accomplished at the abovementioned level to describe the NLO findings. DBTD6 has the lowermost band gap (2.131 eV) among all of the derived compounds. The decreasing order of highest occupied molecular orbital-lowest unoccupied molecular orbital (HOMO-LUMO) energy gap values was DBTR > DBTD1 > DBTD2 > DBTD3 > DBTD4 > DBTD5 > DBTD6 . The NBO analysis was carried out to describe noncovalent interactions such as conjugative interactions and electron delocalization. From all of the examined substances, DBTD5 showed the highest λ max value at 593.425 nm (in the gaseous phase) and 630.578 nm (in chloroform solvent). Moreover, the β tot and ⟨γ⟩ amplitudes of DBTD5 were noticed to be relatively greater at 1.140 × 10 -27 and 1.331 × 10 -32 esu, respectively. So, these outcomes disclosed that DBTD5 depicted the highest linear and nonlinear properties in comparison to the other designed compounds, which underlines that it could make a significant contribution to hi-tech NLO devices., Competing Interests: The authors declare no competing financial interest., (© 2023 The Authors. Published by American Chemical Society.)

Currently, we reported the synthesis of six novel salicylaldehyde-based thiosemicarbazones ( BHCT1-HBCT6 ) via condensation of salicylaldehyde with respective thiosemicarbazide. Through various spectroscopic methods, UV-visible and NMR, the chemical structures of BHCT1-HBCT6 compounds were determined. Along with synthesis, a computational study was also performed at the M06/6-31G(d,p) functional. Various analyses such as natural bond orbital (NBO) analysis, natural population analysis, frontier molecular orbital (FMO) analysis, and molecular electrostatic potential surfaces were carried out to understand the nonlinear optical (NLO) characteristics of the synthesized compounds. Additionally, a comparative study was carried out between DFT and experimental results (UV-vis study), and a good agreement was observed in the results. The energy gap calculated through FMOs was found to be in decreasing order as 4.505 ( FHCT2 ) > 4.499 ( HBCT6 ) > 4.497 ( BHCT1 ) = 4.497( HMCT5 ) > 4.386 ( CHCT3 ) > 4.241( AHCT4 ) in eV. The global reactivity parameters (GRPs) were attained through E HOMO and E LUMO , which described the stability and hardness of novel compounds. The NBO approach confirmed the charge delocalization and stability of the molecules. Among all the investigated compounds, a larger value (557.085 a.u.) of first hyperpolarizability (β tot ) was possessed by CHCT3 . The NLO response (β tot ) of BHCT1-HBCT6 was found to be 9.145, 9.33, 13.33, 5.43, 5.68, and 10.13 a.u. times larger than that of the standard para -nitroaniline molecule. These findings ascertained the potential of entitled ligands as best NLO materials for a variety of applications in modern technology., Competing Interests: The authors declare no competing financial interest., (© 2023 The Authors. Published by American Chemical Society.)

A novel series of fluorophenyl-based thiazoles was synthesized following the Hanztsch method. All of the compounds were initially verified with physical parameters (color, melting point, retardation factor ( R f )), which were further confirmed by several spectroscopic methods, including ultraviolet-visible (UV-visible), Fourier-transform infrared (FTIR), 1 H, 13 C, 19 F NMR, and high-resolution mass spectrometry (HRMS). The binding interactions of all compounds were studied using a molecular docking simulation approach. Furthermore, each compound was evaluated for its alpha(α)-amylase, antiglycation, and antioxidant potentials. The biocompatibility of all compounds was checked with an in vitro hemolytic assay. All synthesized scaffolds were found biocompatible with minimal lysis of human erythrocytes as compared to the standard Triton X-100. Among the tested compounds, the analogue 3h (IC 50 = 5.14 ± 0.03 μM) was found to be a highly potent candidate against α-amylase as compared to the standard (acarbose, IC 50 = 5.55 ± 0.06 μM). The compounds 3d , 3f , 3i , and 3k exhibited excellent antiglycation inhibition potential with their IC 50 values far less than the standard amino guanidine (IC 50 = 0.403 ± 0.001 mg/mL). The antidiabetic potential was further supported by docking studies. Docking studies revealed that all synthesized compounds exhibited various interactions along enzyme active sites (pi-pi, H-bonding, van der Waals) with varied binding energies., Competing Interests: The authors declare no competing financial interest., (© 2023 The Authors. Published by American Chemical Society.)

Solar energy being a non-depleting energy resource, has attracted scientists' attention to develop efficient solar cells to meet energy demands. Herein, a series of hydrazinylthiazole-4-carbohydrazide organic photovoltaic compounds (BDTC1-BDTC7) with an A1-D1-A2-D2 framework was synthesized with 48-62% yields, and their spectroscopic characterization was accomplished using FT-IR, HRMS, 1 H and 13 C-NMR techniques. Density functional theory (DFT) and time dependent DFT analyses were performed utilizing the M06/6-31G(d,p) functional to calculate the photovoltaic and optoelectronic properties of BDTC1-BDTC7 via numerous simulations of the frontier molecular orbitals (FMOs), transition density matrix (TDM), open circuit voltage ( V oc ) and density of states (DOS). Moreover, the conducted analysis on the FMOs revealed efficient transference of charge from the highest occupied to the lowest unoccupied molecular orbitals (HOMO → LUMO), further supported by TDM and DOS analyses. Furthermore, the values of binding energy ( E b = 0.295 to 1.150 eV), as well as reorganization energy of the holes (-0.038-0.025 eV) and electrons (-0.023-0.00 eV), were found to be smaller for all the studied compounds, which suggests a higher exciton dissociation rate with greater hole mobility in BDTC1-BDTC7. V oc analysis was accomplished with respect to HOMO PBDB-T -LUMO ACCEPTOR . Among all the synthesized molecules, BDTC7 was found to have a reduced band gap (3.583 eV), with a bathochromic shift and absorption maximum at 448.990 nm, and a promising V oc (1.97 V), thus it is regarded as a potential candidate for high performance photovoltaic applications., Competing Interests: There are no conflicts to declare., (This journal is © The Royal Society of Chemistry.)

Nanotechnology finds its application almost in every field of science and technology. At the same time, it also helps to find the solution to various environment-related problems, especially water contamination. Nanomaterials have many advantages over conventional materials, such as high surface area, both polar and non-polar chemistries, controlled and size-tunable, easier biodegradation, which made them ideal candidates for water and environmental remediation as well. Herein, applications of non-carbon nanomaterials, such as layered double hydroxides, iron oxide magnetite nanoparticles, nano-polymer composites, metal oxide nanomaterials and nanomembranes/fibers in heavy metal contaminated water and environmental remediation are reviewed. These non-carbon nanomaterials, due to their tunable unique chemistry and small size have greater potentials for water and environmental remediation applications.

Dye-sensitized solar cells (DSSC) constructed using natural dyes possess irreplaceable advantages in energy applications. The main reasons are its performance, environmentally benign dyes, impressible performance in low light, ecologically friendly energy production, and versatile solar product integration. Though DSSCs using natural dyes as sensitizers have many advantages, they suffer from poor efficiency compared to conventional silicon solar cells. Moreover, the difficulty in converting them to practical devices for the day-to-day energy needs has to be addressed. This review will outline the optimization of conditions to be followed for better efficiency in DSSCs using natural dyes as sensitizers. This review has taken into account the importance of the first step towards the fabrication of DSSC, i.e. the selection process. The selection of plant parts has a noticeable impact on the overall efficiency of the device. Accordingly, a proper study has been done to analyse the plant's parts that have shown better results in terms of device efficiency. In addition to this, a wide range of techniques and factors such as extraction methods, the solvent used, coating techniques, immersing time, and co-sensitization have been taken into consideration from the studies done over the period of 10 years to examine their influence on the overall performance of the DSSC device. These results have been addressed to stipulate the best suitable condition that will help supplement the efficiency of the device even further. Also, the future perspectives, such as the DSSCs use in wearable devices, incorporating various approaches to enhance the power conversion efficiency of DSSCs using natural dyes, and thermochromism ability for DSSCs have been discussed., (© 2021. The Author(s), under exclusive licence to Springer-Verlag GmbH Germany, part of Springer Nature.)

Heavy metal contamination in water poses a great risk to human health as well as to the lives of other creatures. Activated carbon is a useful material to be applied for the treatment of heavy metal-contaminated water. In this study, functionalized activated carbon (FAC) was produced by the induction of nitro groups onto activated carbon using nitric acid. The resulting material was characterized in detail using the XRD, Raman, BET, FTIR, and FESEM techniques. The FAC was used for the treatment of heavy metal-contaminated water using different adsorption parameters, i.e., solution pH, contact time, adsorbent dosage and heavy metal ion concentrations, and these parameters were systematically optimized. It was found that FAC requires 90 min for the maximum adsorption of the heavy metal ions; Cr 6+ , Pb 2+ , Zn 2+ and Cd 2+ . The kinetic study revealed that the metal ion adsorption follows the pseudo-second-order. The Freundlich and Langmuir isotherms were applied to determine the best fitting adsorption isotherm models. The adsorption capacities were also determined for each metal ion.

Bloodstain pattern analysis (BPA) for stains found on non-porous surfaces has matured into a powerful forensic science tool based on fluid mechanics principles. The same cannot be said when bloodstains are found on porous substrates, such as textiles. This is partially due to the complex nature of textiles with tens of thousands of different materials in addition to unknown wear characteristics. In this study, three single jersey knit fabrics were manufactured from 100% cotton ring-spun yarns of linear densities of 12, 20, and 30 Ne (492, 295, and 197 dtex, respectively) and nearly identical twist multipliers. Single drops of porcine blood of 2, 10, 30, and 60 µL were allowed to fall 1 cm (to eliminate the impact of blood velocity) onto each fabric to understand the effects of yarn size on wicking and bloodstains. The size of the stain was then measured and compared for different fabrics and blood drop sizes. Wicking of blood into the fabric was fastest for the largest yarn fabrics, but more extensive wicking occurred on finer yarn fabrics resulting in much larger stains. All stains were highly altered due to wicking of blood. The findings from this paper might help the forensic scientists in understanding wicking in textiles and comparing stains on different textiles to gain a better understanding of bloodstains on textiles., (© 2021 American Academy of Forensic Sciences.)

In different mechanical conditions, repetitive friction in combination with pressure, shear, temperature, and moisture leads to skin discomfort and imposes the risks of developing skin injuries such as blisters and pressure ulcers, frequently reported in athletes, military personnel, and in people with compromised skin conditions and/or immobility. Textiles next to skin govern the skin microclimate, have the potential to influence the mechanical contact with skin, and contribute to skin comfort and health. The adhesion-friction theory suggests that contact area is a critical factor to influence adhesion, and therefore, friction force. Friction being a surface phenomenon, most of the studies concentrated on the surface profile or topographic analysis of textiles. This study investigated both the surface profiles and the inner construction of the fabrics through X-ray microcomputed tomographic three-dimensional image analysis. A novel nondestructive method to evaluate yarn and fabric structural details quantitatively and calculate contact area (in fiber area %) experimentally has been reported in this paper. Plain and satin-woven fabrics with different thread densities and made from 100% cotton ring-spun yarns with two different linear densities (40 and 60 Ne) were investigated in this study. The measurements from the tomographic images (pixel size: 1.13 μm) and the fiber area % analysis were in good agreement to comprehend and compare the yarn and fabric properties reported. The fiber area % as reported in this paper can be used to evaluate the skin-textile interfaces and quantitatively determine the contact area under different physical, mechanical, and microclimatic conditions to understand the actual skin-textile interaction during any physical activity or sports. The proposed method can be helpful in engineering textiles to enhance skin comfort and prevent injuries, such as blisters and pressure ulcers, in diversified application areas, including but not limited to, sports and healthcare apparel, military apparel, and firefighter's protective clothing. In addition, the images were capable of precisely evaluating yarn diameters, crimp %, and packing factor as well as fabric thickness, volumetric densities, and cover factors as compared with those obtained from theoretical evaluation and existing classical test methods. All these findings suggest that the proposed new method can reliably be used to quantify the yarn and fabric characteristics, compare their functionality, and understand the structural impacts in an objective and nondestructive way.

Competing Interests: There are no conflicts of interest.

Heavy metal ion contamination in water poses a significant risk to human health as well as to the environment. Millions of tons of agricultural wastes are produced from oil palm plantations which are challenging to manage. In this study, we converted palm kernel shells (PKS) from a palm oil plantation into activated carbon (AC) having a surface area of 1099 m 2 /g using phosphoric acid as an activator. The prepared material was characterized using BET, XRD, Raman, FESEM and FTIR analyses. The AC was applied for the treatment of heavy-metal-contaminated water, and different parameters; the pH, adsorbent dosage, contact time and metal ion concentrations were varied to determine the optimal conditions for the metal ion adsorption. Different kinetic models; the zeroth, first-order and second-order, and Freundlich and Langmuir isotherm models were used to determine the mechanism of metal ion adsorption by the AC. Under the optimized conditions, Cr 6+ and Pb 2+ were removed completely, while Zn 2+ and Cd 2+ were more than 80% removed. This is a greener approach in which an agricultural waste, PKS is converted into a useful product, activated carbon and subsequently applied for the treatment of heavy metal-contaminated water.

Heavy metal contamination in water causes severe adverse effects on human health. Millions of tons of kernel shell are produced as waste from oil palm plantation every year. In this study, palm oil kernel shell (PKS), an agricultural waste is utilized as effective adsorbent for the removal of heavy metals, namely; Cr 6+ , Pb 2+ , Cd 2+ and Zn 2+ from water. Different parameters of adsorptions; solution pH, adsorbent dosage, metal ions concentration and contact time were optimized. The PKS was found to be effective in the adsorption of heavy metal ions Cr 6+ , Pb 2+ , Cd 2+ and Zn 2+ from water with percentage removal of 98.92%, 99.01%, 84.23% and 83.45%, respectively. The adsorption capacities for Cr 6+ , Pb 2+ , Cd 2+ and Zn 2+ were found to be 49.65 mg/g, 43.12 mg/g, 49.62 mg/g and 41.72 mg/g respectively. Kinetics of adsorption process were determined for each metal ion using different kinetic models like the pseudo-first order, pseudo-second order and parabolic diffusion models. For each metal ion the pseudo-second order model fitted well with correlation coefficient, R 2  = 0.999. Different isotherm models, namely Freundlich and Langmuir were applied for the determination of adsorption interaction between metal ions and PKS. Adsorption capacity was also determined for each of the metal ions. PKS was found to be very effective adsorbent for the treatment of heavy metal contaminated water and short time of two hours is required for maximum adsorption. This is a comprehensive study almost all the parameters of adsorptions were studied in detail. This is a cost effective and greener approach to utilize the agricultural waste without any chemical treatment, making it user friendly adsorbent.

Nanotechnology is an advanced field of science having the ability to solve the variety of environmental challenges by controlling the size and shape of the materials at a nanoscale. Carbon nanomaterials are unique because of their nontoxic nature, high surface area, easier biodegradation, and particularly useful environmental remediation. Heavy metal contamination in water is a major problem and poses a great risk to human health. Carbon nanomaterials are getting more and more attention due to their superior physicochemical properties that can be exploited for advanced treatment of heavy metal-contaminated water. Carbon nanomaterials namely carbon nanotubes, fullerenes, graphene, graphene oxide, and activated carbon have great potential for removal of heavy metals from water because of their large surface area, nanoscale size, and availability of different functionalities and they are easier to be chemically modified and recycled. In this article, we have reviewed the recent advancements in the applications of these carbon nanomaterials in the treatment of heavy metal-contaminated water and have also highlighted their application in environmental remediation. Toxicological aspects of carbon-based nanomaterials have also been discussed.

There are few reports of studies of impact spatter on textiles even though bloodstained textiles are found at many violent scenes. Impact spatter was deposited at 90° impact angle onto three knit fabrics of different yarn sizes and on paper. The resulting stain areas and number of stains were measured using ImageJ and compared with stains on paper using one-factor ANOVA. The number of stains observed and their areas on the knit fabrics decreased as the yarn size increased. It was also found that blood that deposited on the fabric wicked only in the direction of the fibers at that location within the fabric which led to distorted stain shapes. Fewer observed impact spatter stains were found on cotton jersey knits for fabrics made with larger yarns than on paper. As the yarn size became smaller, the number of stains became the same as on paper., (© 2018 American Academy of Forensic Sciences.)

Background: The chemotherapy of cancer has been complicated by poor bioavailability, adverse side effects, high dose requirement, drug resistance and low therapeutic indices. Cancer cells have different ways to inhibit the chemotherapeutic drugs, use of dual/multiple anticancer agents may be achieve better therapeutic effects in particular for drug resistant tumors. Designing a biocompatible delivery system, dual or multiple drugs could addressing these chemotherapy drawbacks and it is the focus of many current biomedical research., Methods: In the present study, graphene oxide-polyethylene glycol (GOPEG) nanocarrier is designed and loaded with two anticancer drugs; Protocatechuic acid (PCA) and Chlorogenic acid (CA). The designed anticancer nanocomposite was further coated with folic acid to target the cancer cells, as their surface membranes are overexpressed with folate receptors., Results: The particle size distribution of the designed nanocomposite was found to be narrow, 9-40 nm. The release profiles of the loaded drugs; PCA and CA was conducted in human body simulated PBS solutions of pH 7.4 (blood pH) and pH 4.8 (intracellular lysosomal pH). Anticancer properties were evaluated against cancerous cells i.e. liver cancer, HEPG2 and human colon cancer, HT-29 cells. The cytocompatbility was assessed on normal 3T3 fibroblasts cells., Conclusion: The size of the final designed anticancer nanocomposite formulation, GOPEG-PCACA-FA was found to be distributed at 9-40 nm with a median of 8 nm. The in vitro release of the drugs PCA and CA was found to be of sustained manner which took more than 100 h for the release. Furthermore, the designed formulation was biocompatible with normal 3T3 cells and showed strong anticancer activity against liver and colon cancer cells.

Background: To investigate the impact of advances in image-guided radiotherapy (IGRT) on the outcomes of patients with non-small cell lung cancer (NSCLC) treated with chemoradiation therapy (CRT)., Methods: We retrospectively reviewed 91 patients with NSCLC treated with definitive CRT using image guidance with daily orthogonal kilovoltage (kV) imaging compared to standard weekly megavoltage (MV) portal verifications. Kaplan-Meier curves for overall survival and locoregional failure were computed and stratified by image guidance techniques. Log-rank tests were used to compare strata. Cox Proportional Hazards models were used to identify risk factors for worse mortality and locoregional control., Results: Fifty-four percent (n=49) of patients received weekly MV portal imaging, while 46% (n=42) underwent IGRT using daily orthogonal kV imaging. kV IGRT was associated with longer median survival (36.4 months) compared to MV imaging (14.9 months; P=0.01). kV imaging was also marginally associated with lower risk of locoregional failure. Median time to local progression in patients imaged with kV was 21.4 months compared to 10.9 months (P=0.065) for those treated with MV portal imaging., Conclusions: Daily kV imaging appears to be marginally associated with better survival and disease control when compared to MV imaging. Given the small study size and the numerable factors tested, these finding require additional confirmation., Competing Interests: The authors have no conflicts of interest to declare.

Background: We seek to investigate whether carboplatin-based induction chemotherapy before modern day concurrent chemoradiotherapy (CCRT) improves survival in patients with bulky, locally advanced nonsmall cell lung cancer (NSCLC)., Materials and Methods: This analysis included 105 patients with Stage II and III NSCLC treated with definitive CCRT from 2003 to 2013. All patients underwent definitive treatment with weekly platinum-based doublet chemotherapy delivered concurrently with 60-66 Gy of thoracic radiotherapy. Thirty patients who received induction chemotherapy before CCRT had T4 disease, N3 disease, or gross tumor volume (GTV) of >150 cm 3. These patients were compared to those with unresectable disease who received CCRT alone without induction chemotherapy. Statistical analysis included univariate and multivariate methods., Results: Mean follow-up time was 15.6 months. Patients treated with carboplatin based induction chemotherapy demonstrated prolonged overall survival (28.2 vs. 14.2 months, P = 0.04), progression free survival (12.6 vs. 9.0 months, P = 0.02), and distant metastasis free survival (15.8 vs. 10.1months, P = 0.05) compared to those who received CCRT alone without induction chemotherapy. Univariate analysis revealed older age, larger GTV, and squamous pathology as negative prognostic factors. When controlling for these factors, Cox regression analysis indicated a trend toward significantly improved overall survival in the induction cohort (P = 0.10)., Conclusion: In patients with large tumors or bulky nodal NSCLC, carboplatin-based induction chemotherapy may be an important addition to definitive CCRT in the modern era. Our findings strongly support further investigation induction chemotherapy in this population.

Purpose/objective(s): To quantify ensuing bone marrow (BM) suppression during postoperative chemotherapy resulting from preoperative chemoradiation (CRT) therapy for rectal cancer., Methods and Materials: We retrospectively evaluated 35 patients treated with preoperative CRT followed by postoperative 5-Fluorouracil and oxaliplatin (OxF) chemotherapy for locally advanced rectal cancer. The pelvic bone marrow (PBM) was divided into ilium (IBM), lower pelvis (LPBM), and lumbosacrum (LSBM). Dose volume histograms (DVH) measured the mean doses and percentage of BM volume receiving between 5-40 Gy (i.e.: PBM-V5, LPBM-V5). The Wilcoxon signed rank tests evaluated the differences in absolute hematologic nadirs during neoadjuvant vs. adjuvant treatment. Logistic regressions evaluated the association between dosimetric parameters and ≥ grade 3 hematologic toxicity (HT3) and hematologic event (HE) defined as ≥ grade 2 HT and a dose reduction in OxF. Receiver Operator Characteristic (ROC) curves were constructed to determine optimal threshold values leading to HT3., Results: During OxF chemotherapy, 40.0% (n=14) and 48% (n=17) of rectal cancer patients experienced HT3 and HE, respectively. On multivariable logistic regression, increasing pelvic mean dose (PMD) and lower pelvis mean dose (LPMD) along with increasing PBM-V (25-40), LPBM-V25, and LPBM-V40 were significantly associated with HT3 and/or HE during postoperative chemotherapy. Exceeding ≥36.6 Gy to the PMD and ≥32.6 Gy to the LPMD strongly correlated with causing HT3 during postoperative chemotherapy., Conclusions: Neoadjuvant RT for rectal cancer has lasting effects on the pelvic BM, which are demonstrable during adjuvant OxF. Sparing of the BM during preoperative CRT can aid in reducing significant hematologic adverse events and aid in tolerance of postoperative chemotherapy., (Copyright © 2016 Elsevier Inc. All rights reserved.)