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Due to the massive use and abuse of pesticides, practices which have led to serious threats to human health, the research community must develop on-site and rapid detection technology of pesticide residues to ensure food safety. Here, a paper-based fluorescent sensor, integrated with molecularly imprinted polymer (MIP) targeting glyphosate, was prepared by a surface-imprinting strategy. The MIP was synthesized by a catalyst-free imprinting polymerization technique and exhibited highly selective recognition capability for glyphosate. The MIP-coated paper sensor not only remained selective, but also displayed a limit of detection of 0.29 µmol and a linear detection range from 0.5 to 10 µmol. Moreover, the detection time only took about 5 min, which is beneficial for rapid detection of glyphosate in food samples. The detection accuracy of such paper sensor was good, with a spiked recovery rate of 92–117% in real samples. The fluorescent MIP-coated paper sensor not only has good specificity, which is helpful to reduce the food matrix interference and shorten the sample pretreatment time, but it also has the merits of high stability, low-cost and ease of operation and carrying, displaying great potential for application in the on-site and rapid detection of glyphosate for food safety.

Paper spray ionization (PSI) is an extractive ambient ionization technique for mass spectrometry (MS), whereby a triangular paper tip serves as the sampling base and the electrospray tip. During PSI, analytes are extracted and transported to the edge of the paper tip by the applied spraying solvent. Analytes can be purified from a sample matrix and separated from each other by this transportation process. In this study, we investigated and utilized the analyte transportation process of PSI for the in situ separation and analysis of lipid mixtures. We found that differential transport of phosphatidylcholine (PC) and triacylglycerol (TAG), the two most abundant lipid classes in animals, occurred during PSI. We also found that the order in which these lipids moved strongly depended on how the spraying solvent was applied to the paper base. The more polar PC moved faster than the less polar TAG during PSI, when a polar solvent was slowly fed into a paper tip, whereas TAG was transported faster than PC when excess solvent was applied to the tip at once. In addition, we achieved a complete separation and detection of PC and TAG by slowly supplying a nonpolar solvent to a PSI tip.

Paper-based analytical devices (PADs), including lateral flow assays (LFAs), dipstick assays and microfluidic PADs (μPADs), have a great impact on the healthcare realm and environmental monitoring. This is especially evident in developing countries because PADs-based point-of-care testing (POCT) enables to rapidly determine various (bio)chemical analytes in a miniaturized, cost-effective and user-friendly manner. Low sensitivity and poor specificity are the main bottlenecks associated with PADs, which limit the entry of PADs into the real-life applications. The application of nanomaterials in PADs is showing great improvement in their detection performance in terms of sensitivity, selectivity and accuracy since the nanomaterials have unique physicochemical properties. In this review, the research progress on the nanomaterial-based PADs is summarized by highlighting representative recent publications. We mainly focus on the detection principles, the sensing mechanisms of how they work and applications in disease diagnosis, environmental monitoring and food safety management. In addition, the limitations and challenges associated with the development of nanomaterial-based PADs are discussed, and further directions in this research field are proposed.

Proteinuria is a condition in which an excessive amount of protein is excreted in urine. It is, among others, an indicator of kidney disease or risk of cardiovascular disease. Rapid and reliable diagnosis and monitoring of proteinuria is of great importance for both patients and their physicians. For that reason, a paper-based sensor for proteinuria diagnosis was designed, optimized, and validated utilizing smartphone-assisted signal acquisition. In the first step, a few commonly employed protein assays were optimized and compared in terms of analytical performance on paper matrix. The tetrabromophenol blue method was selected as the one providing a sufficiently low limit of detection (39 mg·L−1) on the one hand and appropriate long-term stability (up to 3 months) on the other hand. The optimized assay was employed for protein-to-creatinine ratio (PCR) determination on a single paper-based sensor. For both analytes the linear ranges were within the clinically relevant range. The analytical usefulness of the developed sensors was demonstrated by a PCR recovery study in artificial urine. The obtained PCR recoveries were from ca. 80 to 150%.

The use of paper as a sustainable packaging material is favored, but it lacks sufficient barrier properties in terms of water repellence and oil resistance. Novel approaches consider active packaging materials or coatings with controlled release providing additional functionality for delivery of specific components to the surface. In this study, the development of a waterborne coating with organic nanoparticles and encapsulated sunflower oils is presented as a system for thermal release of the oil and on-demand tuning of the final barrier properties of the paper substrate. After synthesis of the nanoparticles, it seems that the encapsulation of various grades of sunflower oil (i.e., either poly-unsaturated or mono-unsaturated) strongly affects the encapsulation efficiency and thermal release profiles. The water contact angles are controlled by the oil release and chemical surface composition of the coating upon thermal heating. The oil resistance of the paper improves as a more continuous oil film is formed during thermal release. In particular, the chemical surface composition of the paper coatings is detailed by means of micro-Raman spectroscopy and surface imaging, which provide an analytical quantification tool to evaluate surface coverage, oil delivery, and variations in organic coating moieties. This research was funded through the Robert-Bosch Foundation in the frame of the Juniorprofessorshhip program, project ‘FORESNAB’ (2011–2016) for acquiring Raman spectroscope and TM3000 microscope. R. Thomann (University of Freiburg) is acknowledged for TEM measurements, and D. Stanssens (Topchim N.V.) is acknowledged for materials supply.

The rapid dispersion of new psychoactive substances (NPS) presents challenges to customs services and analytical laboratories, which are involved in their detection and characterization. When the seized material is limited in quantity or of a complex nature, or when the target substance is present in very small amounts, the need to use advanced analytical techniques, efficient workflows and chemo-informatics tools is essential for the complete identification and elucidation of these substances. The current work describes the application of such a workflow in the analysis of a single blotter paper, seized by Swedish customs, that led to the identification of a lysergic acid diethylamide (LSD) derivative, 1-butyl-lysergic acid diethylamide (1B-LSD). Such blotter paper generally contains an amount in the range of 30&ndash, 100 ug. This substance, which is closely related to 1-propionyl-lysergic acid diethylamide (1P-LSD), seems to have only recently reached the drug street market. Its identification was made possible by comprehensively combining gas chromatography with mass spectrometry detection (GC&ndash, MS), liquid chromatography coupled with high-resolution tandem MS (LC&ndash, HR-MS/MS), Orbitrap-MS and both 1D and 2D nuclear-magnetic-resonance (NMR) spectroscopy. All the obtained data have been managed, assessed, processed and evaluated using a chemo-informatics platform to produce the effective chemical and structural identification of 1B-LSD in the seized material.

For the preparation of activated carbon papers (APCs) as supercapacitor electrodes, impurity substances were removed from rice husks, before carbonization and various activation temperature treatments, to optimize electro chemical efficiency. The porosities and electrochemical performances of the ACPs depended strongly on activation temperature: The specific surface area increased from 202.92 (500 &deg, C) to 2158.48 m2 g&minus, 1 (1100 &deg, C). XRD and Raman analyses revealed that ACP graphitization also increased with the activation temperature. For activation at 1100 &deg, C, the maximum specific capacitance was 255 F g&minus, 1, and over 92% of its capacitance was retained after 2000 cycles.

This paper systematically studies the effect of Fe3O4 nanoparticle size on the insulation performance of nanofluid impregnated paper. Three kinds of Fe3O4 nanoparticles with different sizes and their nanofluid impregnated papers were prepared. Environmental scanning electron microscopy (ESEM) and infrared spectroscopy were used to analyze the combination of Fe3O4 nanoparticles and nanofluid impregnated paper. The effect of nanoparticle size on breakdown voltage and several dielectric characteristics, e.g., permittivity, dielectric loss, of the nanofluid impregnated paper were comparatively investigated. Studies show that the Fe3O4 nanoparticles were bound to impregnated paper fibers by O&ndash, H bonds, while the relative permittivity and dielectric loss of the nanofluid impregnated papers were increased. Meanwhile, the increase of trap depth, caused by the nanoparticles, can trap the electric charge and improve the breakdown strength. The test results show that the direct current (DC) and alternating current (AC) breakdown voltages of nanofluid impregnated paper increased by 9.1% and 10.0% compared to FR3 nanofluid impregnated paper, respectively.

Microfluidic paper-based analytical devices (µPADs) have become promising tools offering various analytical applications for chemical and biological assays at the point-of-care (POC). Compared to traditional microfluidic devices, µPADs offer notable advantages; they are cost-effective, easily fabricated, disposable, and portable. Because of our better understanding and advanced engineering of µPADs, multistep assays, high detection sensitivity, and rapid result readout have become possible, and recently developed µPADs have gained extensive interest in parallel analyses to detect biomarkers of interest. In this review, we focus on recent developments in order to achieve µPADs with high-throughput capability. We discuss existing fabrication techniques and designs, and we introduce and discuss current detection methods and their applications to multiplexed detection assays in relation to clinical diagnosis, drug analysis and screening, environmental monitoring, and food and beverage quality control. A summary with future perspectives for µPADs is also presented.

We propose a flexible, binder-free and free-standing carbonaceous paper fabricated via electrostatic spray deposition using reduced graphene oxide/carbon nanotube (rGO/CNT) as a promising electrode material for flexible sodium-ion batteries (NIBs). The as-prepared rGO/CNT paper exhibits a three-dimensional (3D) layered structure by employing rGO as conductive frameworks to provide sodium-storage active sites and CNT as spacer to increase rGO interlayer distance and benefit the diffusion kinetics of sodium ions. Consequently, the rGO/CNT paper delivers an enhanced sodium ion storage capacity of 166.8 mAh g&minus, 1 at 50 mA g-1, retaining an average capacity of 101.4 mAh g&minus, 1 when current density sets back 100 mA g&minus, 1 after cycling at various current rates. An average capacity of 50 mAh g&minus, 1 at 200 mA g&minus, 1 was stabilized when cycling up to 300 cycles. The well-maintained electrochemical performance of free-standing rGO/CNT paper is due to the well-established hybrid 3D nanostructures, which demonstrates our carbon based material fabricated by a facile approach can be applied as one of the high-performance and low-cost electrode materials for applications in flexible energy storage devices.

Samples of papers artificially (2 to 60 days) and naturally (10, 45, and 56 years) aged were studied by the Py-GC/MS method to identify decomposition products. Possible reaction scenarios for cellulose degradation were developed. One of the degradation products is acetic acid, which can (auto)catalyze the cleavage of cellulose β(1→4)-glycosidic bonds of cellulose polymer chains. However, during 20 s of Py-GC/MS analysis, temperatures of up to 300 °C did not significantly increase or modify the formation of decomposition products of paper components. At 300 °C, the amount of several cellulose decomposition products increased regularly depending on the number of days of artificial aging and natural aging, demonstrated mainly by the generation of 2-furancarboxaldehyde, 5-hydroxymethylfurfural, and levoglucosan and its consecutive dehydration products. No correlation between the amount of lignin decomposition products and the time of aging was found when the pyrolysis was performed at 300 °C and 500 °C. Compounds present in the products of decomposition at 500 °C bear the imprint of the chemical composition of the sampled paper. Pyrograms taken at 300 °C using the Py-GC/MS method can give additional information on the changes in the chemical structure of paper during natural or artificial aging, mainly about the cleavage of β(1→4)-glycosidic bonds during aging.

Screen-printed membrane sensors based on the use of paper and ceramic substrates are fabricated, characterized, and used for rapid batch and continuous monitoring of CrIII in the form of CrO42&minus, in some industrial products and wastewater samples. Strips of paper and ceramic platforms (15 &times, 5 mm) were covered with conductive carbon paint and then modified with polyaniline (PANI) film, to act as an ion-to-electron transducer, followed by a drop casting of plasticized poly (vinyl chloride) (PVC) Rhodamine-B chromate membrane as a recognition sensing material. In a 5.0 mmol L&minus, 1 Trizma buffer solution of pH ~8, the fabricated paper and ceramic based membrane sensors exhibited a near Nernstian response for CrVI ion with slopes of &minus, 29.7 &plusmn, 0.5 and &minus, 28.6 &plusmn, 0.3 mV decade&minus, 1, limit of detection 2.5 &times, 10&minus, 5 and 2.4 &times, 6 mol L&minus, 1 (1.3&ndash, 0.12 &micro, g mL&minus, 1), and linear concentration range 7.5 &times, 3&ndash, 5.0 &times, 5 and 7.5 &times, 1.0 &times, 5 mol L&minus, 1 (390-0.5 &micro, 1), respectively. Both sensors exhibited fast and stable potentiometric response, excellent reproducibility, and good selectivity with respect to a number of common foreign inorganic species. Impedance spectroscopy and chronopotentiometry data revealed a small resistance and a larger double layer capacitance due to the presence of the intermediate polyaniline (PAN) conductive layer. Furthermore, the formation of a water layer between the ion selective membrane (ISM) and the underlying conductor polymer and between the conducting polymer and the carbon conducting surface was greatly reduced. The developed disposable solid-contact potentiometric sensors offer the advantages of simple design, long term potential stability, flexibility, miniaturization ability, short conditioning time, and cost effectiveness that enable mass production. The sensors were successfully used for static and hydrodynamic measurements of total chromium in some leather tanning wastewater and nickel-chrome alloy samples. The results compare favorably with data obtained by atomic absorption spectrometry.

Myrciaria floribunda, also known as rumberry, is a tree native to the Brazilian Atlantic Forest, where its fruits have the potential for commercial use. This study evaluates the antioxidant potential, determines the phytochemical profile, and chemically characterizes the rumberry fruit. Accessions were sampled from the Rumberry Active Germplasm Bank of the Federal University of Alagoas, Brazil. Physical characteristics, chemical characteristics, and phenolic compound content were analyzed. Chemical profile characterization was carried out using PSMS. Accessions had an average weight of 0.86 g. Accession AC137 presented a higher pulp yield (1.12 g). AC132 and AC156 had larger fruits, AC137 showed greater firmness (5.93 N), and AC160 had a higher and total phenolic content ratio (279.01 ± 11.11). Orange-colored accessions scored higher in evaluated parameters, except for AC160 for phenolic content. Thirty-two compounds were identified on positive ionization mode and 42 compounds on negative ionization mode using PSMS. Flavonoids, followed by the derivatives of benzoic acid, sugars, and phenylpropanoids, were the most prominent. Myricitrin, quercitrin, and catechin stand out as flavonoids that have been reported in previous studies with antioxidant and antimicrobial properties, in addition to health and therapeutical benefits, demonstrating the potential of the rumberry fruit.

The present contribution evaluates the methods of degradation and stabilization of alum-containing paper with a focus on the alkaline environment achieved by deacidification procedures. In terms of reviewed subjects, the contribution focuses on alum-rosin sized paper, which is still used as a carrier of knowledge and information; however, it also mentions cellulose itself and other brands of paper. The contribution summarizes the results on the homogeneity of the distribution of alum and rosin in the paper mass and on the paper surface. It provides the knowledge gained in the field of alkaline hydrolysis and oxidation with special regard to transition metal species. It shows the values of alkaline reserves achieved in the main mass-deacidification processes. On the basis of the acquired knowledge, the contribution emphasizes the procedures of paper stabilization. Criteria of “increased mechanical permanence and lifetime prolongation” adopted to evaluate and compare the efficacy of individual mass-deacidification processes were applied and corresponding data are introduced. The contribution also draws attention to the existence of open issues in the area of paper degradation and stabilization.

Environmental and health concerns are driving the need for new materials in food packaging to replace poly- or perfluorinated compounds, aluminum layers, and petroleum-based polymers. Cellulose nanofibrils (CNF) have been shown by a number of groups to form excellent barrier layers to oxygen and grease. However, the influence of lignin-containing cellulose nanofibrils (LCNF) on film barrier properties has not been well reported. Herein, thin films (16 g/m2) from LCNF and CNF were formed on paper substrates through a filtration technique that should mimic the addition of material at the wet end of a paper machine. Surface, barrier and mechanical attributes of these samples were characterized. The analysis on the surface free energy and water contact angle pointed to the positive role of lignin distribution in inducing a certain degree of water repellency. The observed oxygen transmission rate (OTR) and water vapor permeability (WVP) values of LCNF-coated samples were nearly similar to those with CNF. However, the presence of lignin improved the oil proof performance, these layered designs exhibited an excellent resistance to grease (kit No. 12). The attained papers with LCNF coat were formed into bowl-like containers using metal molds and a facile oven drying protocol to evaluate their resistance to oil penetration over a longer period. The results confirmed the capability of LCNF layer in holding commercially available cooking oils with no evidence of leakage for over five months. Also, an improvement in the tensile strength and elongation at break was observed in the studied papers. Overall, the proposed packaging material possesses viable architecture and can be considered as a fully wood-based alternative for the current fluorocarbon systems.

Jabuticaba (Plinia cauliflora) and jambolan (Syzygium cumini) fruits are rich in phenolic compounds with antioxidant properties, mostly concentrated in the peel, pulp, and seeds. Among the techniques for identifying these constituents, paper spray mass spectrometry (PS-MS) stands out as a method of ambient ionization of samples for the direct analysis of raw materials. This study aimed to determine the chemical profiles of the peel, pulp, and seeds of jabuticaba and jambolan fruits, as well as to assess the efficiency of using different solvents (water and methanol) in obtaining metabolite fingerprints of different parts of the fruits. Overall, 63 compounds were tentatively identified in the aqueous and methanolic extracts of jabuticaba and jambolan, 28 being in the positive ionization mode and 35 in the negative ionization mode. Flavonoids (40%), followed by benzoic acid derivatives (13%), fatty acids (13%), carotenoids (6%), phenylpropanoids (6%), and tannins (5%) were the groups of substances found in greater numbers, producing different fingerprints according to the parts of the fruit and the different extracting solvents used. Therefore, compounds present in jabuticaba and jambolan reinforce the nutritional and bioactive potential attributed to these fruits, due to the potentially positive effects performed by these metabolites in human health and nutrition.

The objective of this study was to increase the water resistance of paper while providing fungal resistance using a bio-based coating made from chitosan. The water resistance was improved through the surface control of roughness using modified calcium carbonate particles. The higher the quantity of particles in the film-forming solution, the higher the surface hydrophobicity of the paper. The addition of particles was found to counterbalance the chitosan hydrophilicity through the control of the coatings’ penetration in the paper bulk. As a consequence, the wetting time and liquid water resistance were enhanced. The antifungal activity of the film-forming solutions and coated paper was also investigated against the growth of Chaetomium globosum, which was selected as a model strain able to contaminate paper materials. The results reveal that the antifungal activity of chitosan was improved by a possible synergic effect with the bicarbonate ions from the mineral particles.

Estrogens in personal care products are harmful to customers. Conventional methods such as HPLC and LC-MS require tedious sample pretreatment and long analytical time. Paper-spray ionization mass spectrometry (PSI-MS) is a powerful tool for the determination of compounds with little time and minimal pretreatment procedures. Since most estrogens show poor responses in PSI-MS, we developed a chemical derivatization and PSI-MS method to determinate three estrogens: estradiol, estriol and ethinyloestradiol with estradiol valerate as the internal standard (I.S.). After derivatization with 2-fluoro-1-methyl-pyridinium-p-toluene-sulfonate, the three estrogens could be quantified in seconds. This method showed good linearity in the range of 0.1~30 μg·mL−1, with R2 > 0.999. Their recovery results were all between 85%~115%. The limits of detection (LOD) were 0.04 μg·mL−1, 0.02 μg·mL−1 and 0.02 μg·mL−1 for estradiol, estriol and ethinyloestradiol respectively, which improved around 200, 2000, and 900 times compared to non-derivative PSI-MS. The method could quantitatively determine estrogens in cosmetics.

We discuss the successful use of chemically-modified cellulose paper as a microstructured catalytic reactor for the production of useful chemicals. The chemical modification of cellulose paper was achieved using a silane-coupling technique. Amine-modified paper was directly used as a base catalyst for the Knoevenagel condensation reaction. Methacrylate-modified paper was used for the immobilization of lipase and then in nonaqueous transesterification processes. These catalytic paper materials offer high reaction efficiencies and have excellent practical properties. We suggest that the paper-specific interconnected microstructure with pulp fiber networks provides fast mixing of the reactants and efficient transport of the reactants to the catalytically-active sites. This concept is expected to be a promising route to green and sustainable chemistry.

The recycled paper and board industry needs to improve the quality of their products to meet customer demands. The refining process and strength additives are commonly used to increase mechanical properties. Interfiber bonding can also be improved using cellulose nanofibers (CNF). A circular economy approach in the industrial implementation of CNF can be addressed through the in situ production of CNF using side cellulose streams of the process as raw material, avoiding transportation costs and reducing industrial wastes. Furthermore, CNF fit for use can be produced for specific industrial applications.This study evaluates the feasibility of using two types of recycled fibers, simulating the broke streams of two paper machines producing newsprint and liner for cartonboard, to produce in situ CNF for direct application on the original pulps, old newsprint (ONP), and old corrugated container (OCC), and to reinforce the final products. The CNF were obtained by 2,2,6,6-tetramethyl-1-piperidinyloxy (TEMPO)-mediated oxidation and homogenization at 600 bar. Handsheets were prepared with disintegrated recycled pulp and different amounts of CNF using a conventional three-component retention system. Results show that 3 wt.% of CNF produced with 10 mmol of NaClO per gram of dry pulp improve tensile index of ONP ~30%. For OCC, the same treatment and CNF dose increase tensile index above 60%. In both cases, CNF cause a deterioration of drainage, but this effect is effectively counteracted by optimising the retention system.

Pesticides vary in the level of poisonousness, while a conventional rapid test card only provides a general &ldquo, absence or not&rdquo, solution, which cannot identify the various genera of pesticides. In order to solve this problem, we proposed a seven-layer paper-based microfluidic chip, integrating the enzyme acetylcholinesterase (AChE) and chromogenic reaction. It enables on-chip pesticide identification via a reflected light intensity spectrum in time-sequence according to the different reaction efficiencies of pesticide molecules and assures the optimum temperature for enzyme activity. After pretreatment of figures of reflected light intensity during the 15 min period, the figures mainly focused on the reflected light variations aroused by the enzyme inhibition assay, and thus, the linear discriminant analysis showed satisfying discrimination of imidacloprid (Y = &minus, 1.6525X &minus, 139.7500), phorate (Y = &minus, 3.9689X &minus, 483.0526), and avermectin (Y = &minus, 2.3617X &minus, 28.3082). The correlation coefficients for these linearity curves were 0.9635, 0.8093, and 0.9094, respectively, with a 95% limit of agreement. Then, the avermectin class chemicals and real-world samples (i.e., lettuce and rice) were tested, which all showed feasible graphic results to distinguish all the chemicals. Therefore, it is feasible to distinguish the three tested kinds of pesticides by the changes in the reflected light spectrum in each min (15 min) via the proposed chip with a high level of automation and integration.

Organic synthesis allows scientists to construct and modify organic compounds using a continuously growing arsenal of reactions and methodologies [...]

Organic acid is an important factor that accelerates the aging of cellulosic insulation materials. In this study, the interactions between cellulose and five acids, representative of what may be found in an aging transformer, were studied using molecular dynamics. The adsorption process of the five acids onto the surface of crystalline cellulose shows that the three low molecular acids are more readily adsorbed onto cellulose than the two high molecular acids. The deformation and adsorption energies of the acids all increase with an increase in molecular weight when they are stably interacting with cellulose. However, the differences between adsorption energies and deformation energies are positive for the three low molecular acids, whereas they are negative for the two high molecular acids. This indicates that the attachments onto cellulose of low molecular acids are considerably more stabilized than those of the high molecular acids. This is consistent with the experimental results. Furthermore, based on the calculated solubility parameters of acids, the experimental result that the three low molecular acids are to a large degree absorbed onto the cellulose, whereas the two high molecular acids remain in the oil, was theoretically elucidated using the theory of similarity and intermiscibility.

Molecules instituted some years ago a “Best Paper” award to recognize the most outstanding papers in the area of organic synthesis, natural products, medicinal chemistry and molecular diversity published each year in Molecules. We are pleased to announce the third “Molecules Best Paper Award” for 2015. The winners were chosen by the Editor-in-Chief and selected editorial board members from among all the papers published in 2011. Reviews and research papers were evaluated separately. We are pleased to announce that the following eight papers have won the Molecules Best Paper Award for 2015:[...]

Molecules instituted some years ago a “Best Paper” award to recognize the most outstanding papers in the area of natural products, medicinal chemistry and molecular diversity published each year in Molecules. We are pleased to announce the third “Molecules Best Paper Award” for 2014. The winners were chosen by the Editor-in-Chief and selected editorial board members from among all the papers published in 2010. Reviews and research papers were evaluated separately. [...]

Molecules has started to institute a "Best Paper" award to recognize the most outstanding papers in the area of natural products, medicinal chemistry and molecular diversity published in Molecules. We are pleased to announce the second "Molecules Best Paper Award" for 2013. Candidates were chosen by the Editor-in-Chief and selected editorial board members from among all the papers published in 2009.

Recently we have observed and commented on the negative effect of non-Open Access (non-OA) papers published in 2005 on the impact factors of the MDPI journals Molecules and International Journal of Molecular Sciences [1].[...]

Molecules starts to institute the “Best Paper” award to recognize these outstanding papers in the area of natural products, medicinal chemistry and molecular diversity published in Molecules. We are pleased to announce the first “Molecules Best Paper Award” for 2012. Nominations were selected by the editor-in-chief and selected editorial board members from all the papers published in 2008. [...]

unsatisfactory and their proposed reassignments of GC peaks and component identities raised even more questions about the accuracy of claims published in [2]. Furthermore, during our investigation of this matter we also became aware of numerous papers concerning this same topic [6-10], that had not been cited by the authors. Almost six months have now elapsed since this was communicated to the authors, who have failed to respond to our numerous e-mails requesting some action on this matter, so in consideration of the doubts about the validity of the contents of [2] and in the absence of any data supporting the authors' claims, as Editor-in-Chief of

We are proud to be publishing page 2000 of the current volume of Molecules, in this issue 8 (August 2007), while last year we published only 1014 pages during the whole year.[...]

It has been brought to our attention by an alert medicinal chemist from the P. R. China that Scheme 3 and the Experimental section of this paper [1] had been copied from an earlier paper by Gong et al. [2], published in Chinese [3].[...]

Two meetings, ICNPAS-2004 and EAHM-2004, were jointly held on September 12-17, 2004 in Novosibirsk, Russia. The main organizer was the Novosibirsk Institute of Organic Chemistry (Russia), with the Department of Chemistry of Moscow State University (Russia) and Ghent University (Belgium) as co-organizers. The conference picture

The Second Eurasian Meeting on Heterocyclic Chemistry: Heterocycles in Organic and Combinatorial Chemistry, organized by the Chemistry Department of Moscow State University and sponsored by Bayer AG, was held at Novgorod the Great, Russia, from September 14-17, 2002. In keeping with the meeting’s goal of bringing together those European and Asian heterocyclic chemists from our continent who had no real contacts with each other up to now, the conference was attended by over 60 scientists from various European and Asian countries, who presented some 50 papers and posters (for the conference proceedings see: http://org.chem.msu.su/~babaev/eurasia/book1.pdf). We are now pleased to present in this special issue of Molecules a selection of peer reviewed and edited papers from this conference, expanded by their authors to include the corresponding experimental data and thus meet the journal’s usual criteria for publication.

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In this work, the design of a microfluidic paper-based analytical device (μPAD) for the quantification of nitrate in urine samples was described. Nitrate monitoring is highly relevant due to its association to some diseases and health conditions. The nitrate determination was achieved by combining the selectivity of the nitrate reductase enzymatic reaction with the colorimetric detection of nitrite by the well-known Griess reagent. For the optimization of the nitrate determination μPAD, several variables associated with the design and construction of the device were studied. Furthermore, the interference of the urine matrix was evaluated, and stability studies were performed, under different conditions. The developed μPAD enabled us to obtain a limit of detection of 0.04 mM, a limit of quantification of 0.14 mM and a dynamic concentration range of 0.14–1.0 mM. The designed μPAD proved to be stable for 24 h when stored at room temperature in air or vacuum atmosphere, and 60 days when stored in vacuum at −20 °C. The accuracy of the nitrate μPAD measurements was confirmed by analyzing four certified samples (prepared in synthetic urine) and performing recovery studies using urine samples.

arefully and immediately indexed and abstracted by the leading indexing and abstracting services, includingChemical Abstracts; CAPLUS; Science Citation Index Expanded; SciSearch, Research Alert; ChemistryCitation Index and Current Contents. We strive to maintain a very fast editorial procedure and acceptedpapers are published immediately. We ask authors to present a comprehensive literature review of their research topic in an Introduction sectionand to publish as much as possible the full experimental details, particularly synthetic procedures, not only forhigh-yield examples but also for any low-yield examples, as well as the structures, not only of target productsbut also those of any isolated and characterized by-products and intermediates, and all the availablespectroscopic and other characterization information (see http://www.mdpi.org/molecules/edito96.htm for thereasons [1]). In short, we encourage authors to submit long or very long papers.

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The present work reports the biobleaching effect on OPEFB pulp upon utilisation of extracellular xylano-pectinolytic enzymes simultaneously yielded from Bacillus amyloliquefaciens ADI2. The impacts of different doses, retention times, pH, and temperatures required for the pulp biobleaching process were delineated accordingly. Here, the OPEFB pulp was subjected to pre-treatment with xylano-pectinolytic enzymes generated from the same alkalo-thermotolerant isolate that yielded those of higher quality. Remarkable enhanced outcomes were observed across varying pulp attributes: for example, enzyme-treated pulp treated to chemical bleaching sequence generated improved brightness of 11.25%. This resulted in 11.25% of less chlorine or chemical consumption required for obtaining pulp with optical attributes identical to those generated via typical chemical bleaching processes. Ultimately, the reduced consumption of chlorine would minimise the organochlorine compounds found in an effluent, resulting in a lowered environmental effect of paper-making processes overall as a consequence. This will undoubtedly facilitate such environmentally-friendly technology incorporation in the paper pulp industry of today.

Carbon monoxide (CO) is a toxic, hazardous gas that has a colorless and odorless nature. On the other hand, CO possesses some physiological roles as a signaling molecule that regulates neurotransmitters in addition to its hazardous effects. Because of the dual nature of CO, there is a need to develop a sensitive, selective, and rapid method for its detection. Herein, we designed and synthesized a turn-on fluorescence probe, 2-(2′-nitrophenyl)-4(3H)-quinazolinone (NPQ), for the detection of CO. NPQ provided a turn-on fluorescence response to CO and the fluorescence intensity at 500 nm was increased with increasing the concentration of CO. This fluorescence enhancement could be attributed to the conversion of the nitro group of NPQ to an amino group by the reducing ability of CO. The fluorescence assay for CO using NPQ as a reagent was confirmed to have a good linear relationship in the range of 1.0 to 50 µM with an excellent correlation coefficient (r) of 0.997 and good sensitivity down to a limit of detection at 0.73 µM (20 ppb) defined as mean blank+3SD. Finally, we successfully applied NPQ to the preparation of a test paper that can detect CO generated from charcoal combustion., Molecules, 28(9), art. no. 3654; 2023

A new turn-on probe (SWJT-20) based on isophorone fluorophore for the detection of nerve agent mimic diethyl chlorophosphite (DCP) was designed and synthesized. SWJT-20 could rapidly respond to DCP within 2 s using UV-Vis or fluorescent spectra, accompanied by a significant change in the solution color under visible light or UV light, which could be observed by the naked eyes. The detection limit of SWJT-20 to DCP was as low as 8.3 nM, which is lower than those of most reported fluorescent probes for DCP detection. Additionally, SWJT-20 could quantitatively measure DCP using ratio changes in A427/A645 in absorption spectra. Furthermore, facile paper as sensors with the visualization of colorimetric/fluorometric responses based on SWJT-20 has been fabricated. Notably, this probe could detect DCP vapor through gas diffusion experiments.

One of the major problems in book conservation is the long-term deconstructive effect of acidity introduced into the paper by several additives, which, in the presence of humidity, generates a hydrogen cation with a strong catalytic role in cellulose depolymerization. Many types of treatment have been used in the past, but up to now, research for less-invasive, fast and cheap methods is still vividly ongoing. In this study, an approach to book deacidification is presented, where alkaline water solutions are administered to bound books in the form of micrometer-sized aerosol droplets, without using vacuum apparatus accessories. Alkaline clouds treatments were alternated with gentle air fluxes of drying steps. Few cycles are required to achieve uniform deacidification of books. The treatment could be conducted with proper apparatus on large volumes, resulting in rapid treatment time and low cost. The titration curve reporting the variation of book pH, with respect to the amount of absorbed alkaline aerosol, was built and interpreted in terms of a chemical model for the neutralization process. FTIR, PXRD and XRF spectroscopies were used to characterize the book chemistry. The effects of the treatment on the book were evaluated by measuring the degree of polymerization (DP) of the paper and the colorimetric coordinates of the paper and ink. Artificial aging tests revealed a general increase in the aging stability of the deacidified paper samples with respect to the untreated samples. Finally, the alkaline reserve data are discussed.

This paper presents the results of research on the granulation process of leather industry waste, i.e., tanning shavings. It is economically justified to granulate this waste together with mineral additives that are useful in the processes of their further processing. Unfortunately, the granulation of raw, unsorted shavings does not obtain desired results due to their unusual properties. In this study, the possibilities of agglomeration of this waste were examined by a new method consisting of the production and then the granulation of wet pulp. During granulation, no additional binding liquid is added to the granulated bed. As part of this work, the specific surface of granulated shavings, the granulometric composition of the obtained agglomerates, and their strength parameters were determined. The use of a vibrating disc granulator, the addition of a water glass solution (in the pulp), dolomite, and gypsum made it possible to obtain durable, mechanically stable granules.

Cellulose nanocrystals (CNC) have attracted the attention of many engineering fields and offered excellent mechanical and physical properties as polymer reinforcement. However, their application in composite products with high material demand is complex due to the current production costs. This work explores the use of cellulose microfibers (MF) obtained by a straightforward water dispersion of kraft paper to reinforce polyhydroxyalkanoate (PHA) and polylactic acid (PLA) films. To assess the influence of this type of filler material on the properties of biopolymers, films were cast and reinforced at different scales, with both CNC and MF separately, to compare their effectiveness. Regarding mechanical properties, CNC has a better reinforcing effect on the tensile strength of PLA samples, though up to 20 wt.% of MF may also lead to stronger PLA films. Moreover, PHA films reinforced with MF are 23% stronger than neat PHA samples. This gain in strength is accompanied by an increment of the stiffness of the material. Additionally, the addition of MF leads to an increase in the crystallinity of PHA that can be controlled by heat treatment followed by quenching. This change in the crystallinity of PHA affects the hygroscopicity of PHA samples, allowing the modification of the water barrier properties according to the required features. The addition of MF to both types of polymers also increases the surface roughness of the films, which may contribute to obtaining better interlaminar bonding in multi-layer composite applications. Due to the partial lignin content in MF from kraft paper, samples reinforced with MF present a UV blocking effect. Therefore, MF from kraft paper may be explored as a way to introduce high fiber concentrations (up to 20 wt.%) from other sources of recycled paper into biocomposite manufacturing with economic and technical benefits., This research was funded by TSSiPRO; NORTE-01-0145-FEDER-000015-project, Technologies for Sustainable and Smart Innovative Products, which involves this research work and financed by the European Regional Development Fund (ERDF) through the Support System for Scientific and Technological Research (Structured R & D & I Projects) of the Regional Operational Program for Northern Portugal 2020.

Currently, valorization of lignocellulosic biomass almost exclusively focuses on the production of pulp, paper, and bioethanol from its holocellulose constituent, while the remaining lignin part that comprises the highest carbon content, is burned and treated as waste. Lignin has a complex structure built up from propylphenolic subunits; therefore, its valorization to value-added products (aromatics, phenolics, biogasoline, etc.) is highly desirable. However, during the pulping processes, the original structure of native lignin changes to technical lignin. Due to this extensive structural modification, involving the cleavage of the β-O-4 moieties and the formation of recalcitrant C-C bonds, its catalytic depolymerization requires harsh reaction conditions. In order to apply mild conditions and to gain fewer and uniform products, a new strategy has emerged in the past few years, named ‘lignin-first’ or ‘reductive catalytic fractionation’ (RCF). This signifies lignin disassembly prior to carbohydrate valorization. The aim of the present work is to follow historically, year-by-year, the development of ‘lignin-first’ approach. A compact summary of reached achievements, future perspectives and remaining challenges is also given at the end of the review.

The primary, most obvious parameter indicating water quality is the color of the water. Not only can it be aesthetically disturbing, but it can also be an indicator of contamination. Clean, high-quality water is a valuable, essential asset. Of the available technologies for removing dyes, adsorption is the most used method due to its ease of use, cost-effectiveness, and high efficiency. The adsorption process is influenced by several parameters, which are the basis of all laboratories researching the optimum conditions. The main objective of this review is to provide up-to-date information on the most studied influencing factors. The effects of initial dye concentration, pH, adsorbent dosage, particle size and temperature are illustrated through examples from the last five years (2017–2021) of research. Moreover, general trends are drawn based on these findings. The removal time ranged from 5 min to 36 h (E = 100% was achieved within 5–60 min). In addition, nearly 80% efficiency can be achieved with just 0.05 g of adsorbent. It is important to reduce adsorbent particle size (with Φ decrease E = 8–99%). Among the dyes analyzed in this paper, Methylene Blue, Congo Red, Malachite Green, Crystal Violet were the most frequently studied. Our conclusions are based on previously published literature.

The synthesis, sensor activity, and logic behavior of a novel 4-iminoamido-1,8-naphthalimide bichromophoric system based on a “fluorophore-receptor” architecture with ICT chemosensing properties is reported. The synthesized compound showed good colorimetric and fluorescence signaling properties as a function of pH and proved itself as a promising probe for the rapid detection of pH in an aqueous solution and base vapors in a solid state. The novel dyad is able to work as a two-input logic gate with chemical inputs H+ (Input 1) and HO− (Input 2) executing INHIBIT logic gate. The synthesized bichromophoric system and the corresponding intermediates demonstrated good antibacterial activity toward Gram (+) and Gram (−) bacteria when compared with the Gentamycin standard.

The lignocellulosic biomass is comprised of three major components: cellulose, hemicellulose, and lignin. Among these three, cellulose and hemicellulose were already used for the generation of simple sugars and subsequent value-added products. However, lignin is the least applied material in this regard because of its complex and highly variable nature. Regardless, lignin is the most abundant material, and it can be used to produce value-added products such as lignin-modifying enzymes (LMEs), polyhydroxyalkanoates (PHAs), microbial lipids, vanillin, muconic acid, and many others. This review explores the potential of lignin as the microbial substrate to produce such products. A special focus was given to the different types of lignin and how each one can be used in different microbial and biochemical pathways to produce intermediate products, which can then be used as the value-added products or base to make other products. This review paper will summarize the effectiveness of lignin as a microbial substrate to produce value-added products through microbial fermentations. First, basic structures of lignin along with its types and chemistry are discussed. The subsequent sections highlight LMEs and how such enzymes can enhance the value of lignin by microbial degradation. A major focus was also given to the value-added products that can be produced from lignin.

Argan pulp is an abundant byproduct from the argan oil process. It was investigated to study the feasibility of second-generation bioethanol production using, for the first time, enzymatic hydrolysis pretreatment. Argan pulp was subjected to an industrial grinding process before enzymatic hydrolysis using Viscozyme L and Celluclast 1.5 L, followed by fermentation of the resulting sugar solution by Saccharomyces cerevisiae. The argan pulp, as a biomass rich on carbohydrates, presented high saccharification yields (up to 91% and 88%) and an optimal ethanol bioconversion of 44.82% and 47.16% using 30 FBGU/g and 30 U/g of Viscozyme L and Celluclast 1.5 L, respectively, at 10%w/v of argan biomass.

The strategic idea in this work was to increase pH values by employing natural alkali sources (i.e., HCO3− and CO32−) from four tested agro-ashes as an alternative to chemicals (i.e., lime or soda ash). The considerable proportion of carbonates and bicarbonates in the investigated ash products had remarkable features, making them viable resources. All ash materials showed a significant ability for Ca ion elimination at high initial Ca ion concentrations. A slight quantity of ash (10 g/L) was sufficient for usage on very hard water contents up to 3000 ppm. Finally, the tested agro-ash was free of cost. Furthermore, unlike other conventional precipitants, such as NaOH, Ca(OH)2, NaHCO3, Na2CO3, and CaO, they are cost effective and ecologically sustainable. There is no need to employ any additional chemicals or modify the agro-ash materials throughout the treatment process. The benefits of the manufactured ash were assessed using a SWOT analysis.

Olive oil production using three-phase decanter systems creates olive oil and two by-products: olive mill wastewater (OMWW) and pomace. These by-products contain the highest share of polyphenolic compounds that are known to be associated with beneficial effects on human health. Therefore, they are an attractive source of phenolic compounds for further industrial use in the cosmetic, pharmaceutical and food industries. The use of these phenolics is limited due to difficulties in recovery, high reactivity, complexity of the OMWW matrix and different physiochemical properties of phenolic compounds. This research, focused on OMWW, was performed in two phases. First, different polyphenol extraction methods were compared to obtain the method that yields the highest polyphenol concentration. Twenty-five phenolic compounds and their isomers were determined. Acidifying OMWW, followed by five minutes of ultrasonication, resulted in the highest measured polyphenol content of 27 mg/L. Second, the collection of polyphenolic compounds from OMWW via adsorption on unmodified iron (II, III) oxide particles was investigated. Although low yields were obtained for removed polyphenolic compounds in one removal cycle, the process has a high capability to be repeated.