Hasil untuk "Chemical industries"

M. Gordon

M. Holm, S. Saravanamurugan, Esben Taarning

K. Skalska, Jacek S. Miller, S. Ledakowicz

Baoliang Peng, Z. Yao, Xiaocong Wang et al.

Abstract The most abundant natural biopolymer on earth, cellulose fiber, may offer a highly efficient, low-cost, and chemical-free option for wastewater treatment. Cellulose is widely distributed in plants and several marine animals. It is a carbohydrate polymer consisting of β-1,4-linked anhydro-D-glucose units with three hydroxyl groups per anhydroglucose unit (AGU). Cellulose-based materials have been used in food, industrial, pharmaceutical, paper, textile production, and in wastewater treatment applications due to their low cost, renewability, biodegradability, and non-toxicity. For water treatment in the oil and gas industry, cellulose-based materials can be used as adsorbents, flocculants, and oil/water separation membranes. In this review, the uses of cellulose-based materials for wastewater treatment in the oil & gas industry are summarized, and recent research progress in the following aspects are highlighted: crude oil spill cleaning, flocculation of solid suspended matter in drilling or oil recovery in the upstream oil industry, adsorption of heavy metal or chemicals, and separation of oil/water by cellulosic membrane in the downstream water treatment.

Ruojun Mu, Xinjun Hong, Yongsheng Ni et al.

Abstract Background The development of nanomaterials with edible and biodegradable properties is now an urgent need of food science and technology. The application of nanomaterials in the food production, processing and packaging promotes the development of a novel technology - food nanotechnology. Scope and approach Cellulose nanocrystals are nanoscale celluloses extracted from natural fibers and organized in a structure of strongly ordered crystalline particles. In this review, recent developments in advantages and safety issues of cellulose nanocrystal, as well as its applications in food industry, such as biodegradable packaging, delivery systems, food stabilizer and functional food ingredients were highlighted. Key findings and conclusions The cellulose nanocrystals have excellent physical and chemical properties and are considered as novel food ingredients and biodegradable packaging materials in food industry. Based on its small size, large surface area, high crystallinity and high Young's modulus, cellulose nanocrystals exhibited excellent mechanical properties, high thermal stability, active chemical reaction properties, and the rheological properties of shear thinning. Cellulose nanocrystals can be used as a low calorie replacement for carbohydrate additives used as thickeners, flavor carriers and suspension stabilizers in a wide variety of food products. Cellulose nanocrystals showed excellent functions in application of delivery system, which make it an ideal candidate to protect nutrients and active ingredients in food products.

N. R. J. Hynes, J. Kumar, Hesam Kamyab et al.

Abstract Wastewaters from the textile industry are hazardous effluents containing toxic complex components that without appropriate treatment severely impact the environment; causing harmful effects to the aquatic ecosystems, as well as to human health. The present study extensively reviews the dyes and chemicals utilized in the textile industry focusing on the traditional treatment methods -chemical, biological, physical and hybrid systems-for their removal from industrial wastewaters. In addition, a critical analysis on Internet of Things based management systems for their remote monitoring and control of the water quality is reported. It was found the absence of a common platform for the integration of the different traditional treatment methods in association with modern technologies is the main limiting factor for an effective sustainable manufacturing. Therefore, it is the aim of this research to broaden the scope of potential solutions, proposing cost-effective high-performing combined strategies with promising benefits for future industrial applications.

J. Rovira, J. Domingo

&NA; It is well known that a number of substances used in the textile industry can mean not only environmental, but also health problems. The scientific literature regarding potential adverse health effects of chemical substances in that industry is mainly related with human exposure during textile production. However, information about exposure of consumers is much more limited. Although most research on the health effects of chemicals in textiles concern allergic skin reactions, contact allergy is not the only potential human health problem. In this paper, we have reviewed the current scientific information regarding human exposure to chemicals through skin‐contact clothes. The review has been focused mainly on those chemicals whose probabilities of being detected in clothes were rather higher. Thus, we have revised the presence of flame retardants, trace elements, aromatic amines, quinoline, bisphenols, benzothiazoles/benzotriazoles, phthalates, formaldehyde, and also metal nanoparticles. Human dermal exposure to potentially toxic chemicals through skin‐contact textiles/clothes shows a non‐negligible presence in some textiles, which might lead to potential systemic risks. Under specific circumstances of exposure, the presence of some chemicals might mean non‐assumable cancer risks for the consumers.

Thomas W. Watts, Soumya Sarkar, Daniel Collins et al.

Simulating chemical reactions is a central challenge in computational chemistry, characterized by an uneven difficulty profile: while equilibrium reactant and product geometries are often classically tractable, intermediate transition states frequently exhibit strong correlation that defies standard approximations. We present a protocol for dissipative ground state preparation that exploits this structure by treating the reaction path itself as a computational primitive. Our protocol uses an approach where a state prepared at a tractable geometry is propagated along a discretized reaction coordinate using Procrustes-aligned orbital rotations and stabilized by engineered dissipative cooling. We show that for reaction paths satisfying a localized Eigenstate Thermalization Hypothesis (ETH) drift condition in the strongly correlated regime, the algorithm prepares ground states of chemical systems with $N_o$ orbitals to an energy error $ε_E$ with a total gate complexity scaling as $\widetilde{O}(N_o^{3}/ε_E)$. We provide logical resource estimates for benchmark systems including FeMoco, Cytochrome P450, and Ru-based carbon capture catalysts.

Andrei S. Tyrin, Brandon Wang, Manuel Muñoz et al.

The design-make-test-analyze cycle in early-stage drug discovery remains constrained primarily by the "make" step: small-molecule synthesis is slow, costly, and difficult to scale or automate across diverse chemotypes. Enumerated chemical spaces aim to reduce this bottleneck by predefining synthesizable regions of chemical space from available building blocks and reliable reactions, yet existing commercial spaces are still limited by long turnaround times, narrow reaction scope, and substantial manual decision-making in route selection and execution. Here we present the first version of onepot CORE, an enumerated chemical space containing 3.4B molecules and corresponding on-demand synthesis product enabled by an automated synthesis platform and an AI chemist, Phil, that designs, executes, and analyzes experiments. onepot CORE is constructed by (i) selecting a reaction set commonly used in medicinal chemistry, (ii) sourcing and curating building blocks from supplier catalogs, (iii) enumerating candidate products, and (iv) applying ML-based feasibility assessment to prioritize compounds for robust execution. In the current release, the space is supported by seven reactions. We describe an end-to-end workflow - from route selection and automated liquid handling through workup and purification. We further report validation across operational metrics (success rate, timelines, purity, and identity), including NMR confirmation for a representative set of synthesized compounds and assay suitability demonstrated using a series of DPP4 inhibitors. Collectively, onepot CORE illustrates a path toward faster, more reliable access to diverse small molecules, supporting accelerated discovery in pharmaceuticals and beyond.

Zherui Chen, Jiayu Zhang, Yuxuan Tian et al.

Empirical force fields remain the primary tool for large-scale molecular simulation, yet their limited flexibility and transferability often hinder predictive modeling in chemically complex condensed-phase systems. Here we present ORION, a universal machine-learning force field for C, H, O, N, S, and P systems developed within the Neuroevolution Potential (NEP) framework. To enhance transferability across diverse chemical environments, ORION was trained on a chemically rich dataset constructed through an integrated top-down and bottom-up strategy, enabling accurate descriptions of complex organic configurations, reactive intermediates, and weak intermolecular interactions. ORION achieves near-density-functional-theory accuracy while retaining the efficiency required for large-scale molecular dynamics simulations. On the test set, it predicts atomic forces with substantially higher accuracy than ReaxFF while running 215.5 times faster under identical hardware conditions, making simulations on the hundreds-of-nanoseconds timescale readily accessible. The model provides a balanced description of bond breaking and formation, aromatic growth, hydrogen bonding, van der Waals interactions, and π-stacking, demonstrating strong transferability across both reactive and nonreactive systems. These results establish ORION as a practical and general force field for predictive simulations in chemistry and materials science, and provide an effective route toward universal machine-learning force fields with both high accuracy and broad applicability.

Guokai Cui, Jianji Wang, Suojiang Zhang

Raúl J. Delgado-Macuil, Beatriz Perez-Armendariz, Gabriel Abraham Cardoso-Ugarte et al.

This paper comprehensively reviews whey, a by-product of cheese production, as a raw material for various biotechnological applications. It addresses its unique composition, the environmental impact of its inadequate disposal, and the opportunities it offers to develop high-value products in line with circular economy and sustainability principles. Using the PRISMA methodology, a systematic search was conducted in various databases (Science Direct, Scopus, and Google Scholar) with specific inclusion and exclusion criteria. Studies from the last five years were considered, focusing on food applications, the production of bioproducts (such as lactic acid, biopolymers, bioethanol, biomass, and enzymes), and the use of whey as a culture medium for the expression of recombinant proteins. It is concluded that the use of whey in biotechnological applications mitigates the environmental impact associated with its disposal and represents an economic and sustainable alternative for the industrial production of bioproducts. The integration of pretreatment technologies, experimental designs, and improvements in producing strains brings these processes closer to competitive conditions in the industry, opening new perspectives for innovation in the fermentation sector.

I Putu Parwata, Ketut Srie Marhaeni Julyasih

The growing demand for stable and effective enzymes requires the discovery of novel microbial producers. Alpha‐amylase is an enzyme in high demand by various industries; however, the discovery of novel and stable alpha‐amylase producers remains limited. This study aims to isolate, optimize, and characterize extracellular alpha‐amylase from halophilic bacteria Marinobacter sp. LES TG5. Bacteria were isolated from saltwater and soil samples collected from traditional salt ponds in Les Village, Bali, Indonesia. Initial screening on starch agar yielded several amylase‐producing colonies, and subsequent spectrophotometric assays identified one promising isolate (LES TG5), which demonstrated an initial activity of 0.63 U/mL. The production of amylase was significantly enhanced by a multi‐stage optimization process. This involved first identifying optimal carbon and nitrogen sources, followed by a one‐variable‐at‐a‐time approach to determine the ideal nutrient levels, salt concentration, and incubation time. This optimization led to an 11‐fold increase in activity, from 0.63 U/mL to 6.99 U/mL, achieved with a medium containing 2.4% (w/v) nutrient broth, 0.4% (w/v) maltose, and 3% (w/v) NaCl with an incubation time of 22 hours. Enzyme characterization revealed optimal amylase activity at pH 7, 55 °C, and 3% (w/v) NaCl. While Ca2+ and Mg2+ had no effect on amylase activity, Pb2+, Fe2+, Sn2+, and Al3+ significantly reduced it. Importantly, the amylase demonstrated outstanding stability in organic solvents such as methanol, ethanol, and n‐hexane, suggesting its potential as a biocatalyst for chemical synthesis in non‐aqueous systems. Furthermore, its notable stability against surfactants and detergents highlights its promise as an additive in cleaning product formulations.

Bhaskar Dwivedi, Diksha Bhardwaj, Praveen Kumar Atal et al.

Green synthesis has emerged as a transformative approach in nanotechnology, driven by its environmentally friendly, safe, and sustainable principles. In this study, we present a bio-inspired method for the synthesis of CeO₂-TiO₂ nanocomposites (NCs) using phytochemicals extracted from the outer calyx leaves of Physalis peruviana fruits, under ultrasound sonication. This eco-friendly technique not only eliminates the need for hazardous chemicals but also capitalizes on the natural reducing and capping properties of biowaste. The synthesized NCs were thoroughly characterized using fourier-transform infrared spectroscopy (FTIR), UV-Vis spectroscopy, transmission electron microscopy (TEM), scanning electron microscopy (SEM), energy-dispersive X-ray spectroscopy (EDX), X-ray diffraction (XRD), and thermogravimetric analysis (TGA). Their antibacterial activity was evaluated against various Gram-positive and Gram-negative bacteria, and their antioxidant potential was also assessed. This work highlights the remarkable role of phytochemicals from fruit calyx leaves as bio-templates, facilitating the sustainable production of CeO₂-TiO₂ NCs. The ultrasound-assisted synthesis provides a rapid, energy-efficient, and scalable process for nanocomposite fabrication, demonstrating excellent biocompatibility, uniformity, and stability. Furthermore, the approach not only offers a solution to the challenge of hazardous chemical use in nanoparticle (NPs) synthesis but also contributes to waste management by valorizing agricultural by-products. Our findings underscore the promising applications of green-synthesized CeO₂-TiO₂ NCs in the biomedical and pharmaceutical industries, paving the way for future advancements in eco-friendly nanotechnology.

Flora Salzano, Martina Aulitto, Angela Maione et al.

Abstract Agri-food waste represents a rich source of bioactive compounds with potential applications in the food, pharmaceutical, and cosmetic industries. This study investigates sustainable strategies for extracting bioactive compounds, with a specific focus on enzyme-assisted extraction (EAE) as an alternative to conventional chemical methods. Spent coffee grounds (SCGs), sunflower residues, and citrus residues were analyzed. Key parameters, including total phenolic content, antioxidant capacity, reducing sugar content, antimicrobial effects, and antiproliferative activity on human cells, were evaluated. SCG and sunflower extracts demonstrated the highest antioxidant content, albeit with minimal variations between enzyme treatments. Notably, enzyme-treated citrus extracts exhibited increased reducing sugar content, significant antimicrobial activity, and inhibition of microbial biofilms. Moreover, citrus extracts were non-toxic to healthy cells while showing pronounced effects against metastatic melanoma cells. These findings underscore the potential of citrus waste as a valuable source of bioactive compounds and highlight EAE as an effective and sustainable extraction technique.

Irvin Tubon, Erick Cunalata , Goering Octavio Zambrano-Cárdenas et al.

Background: Diabetes mellitus is a chronic disease affecting many people in the world. The main symptom of diabetes is high blood glucose levels (hyperglycemia), which triggers an imbalance in the body, producing secondary pathologies associated with oxidative stress generated by this metabolic disorder. Objective: This research evaluated the antioxidant and hypoglycemic capacity of Ambrosia arborescens, Buddleja incana, Aloysia citrodora, and Prunus serotina ethanolic and aqueous leaf extracts. Methods: The phytochemical profile of each plant species was characterized through qualitative tests to determine the presence or absence of metabolites such as alkaloids, phenols, triterpenes, and flavonoids. Quantitative determinations of total phenols and flavonoid content were also conducted. The free radical scavenging assay with 2,2-diphenyl-1picrylhydrazil (DPPH) evaluated the antioxidant capacity. The hypoglycemic capacity was performed by quantifying the inhibition capacity of α-amylase and α-glucosidase enzymes. Results: All extracts showed a high concentration of phenols and flavonoids. Likewise, all extracts exhibited enzymatic inhibition at different concentrations, with 500 µg/mL showing the highest inhibitory effect. Additionally, the ethanolic extract of A. arborescens demonstrated the most excellent hypoglycemic capacity among all the extracts analyzed. Conclusion: The results of this study can serve as a basis for future research focused on utilizing medicinal plants to develop pharmaceutical formulations as an alternative treatment for hyperglycemia associated with diabetes.

Gauthier Roussilhe, Thibault Pirson, David Bol et al.

Growing attention is given to the environmental impacts of the digital sector, exacerbated by the increase of digital products and services in our globalized societies. The materiality of the digital sector is often presented through the environmental impacts of mining activities to point out that digitization does not mean dematerialization. Despite its importance, such a narrative is often restricted to a few minerals (e.g., cobalt, lithium) that have become the symbols of extractive industries. In this paper, we further explore the materiality of the digital sector with an approach based on the diversity of elements and their purity requirements in the semiconductor industry. Semiconductors are responsible for manufacturing the key building blocks of the digital sector, i.e., microchips. Given that the need for ultra-high purity materials is very specific to the semiconductor industry, a few companies around the world have been studied, revealing new critical actors in complex supply chains. This highlights strong dependencies towards other industrial sectors with mass production and the need for a deeper investigation of interactions with the chemical industry, complementary to the mining industry.

Takafumi Shiraogawa, Simon León Krug, Masahiro Ehara et al.

Understanding chemical compound space (CCS), a set of molecules and materials, is crucial for the rational discovery of molecules and materials. Concepts of symmetry have recently been introduced into CCS to account for near degeneracies and differences in electronic energies between iso-electronic materials. In this work, we present approximate relationships of response properties based on a first-principles view of CCS. They have been derived from perturbation theory and antisymmetry considerations involving nuclear charges. These rules allow approximate predictions of relative response properties of pairs of distinct compounds with opposite nuclear charge variations from a highly symmetric reference material, without the need for experiments or quantum chemical calculations of each compound. We numerically and statistically verified these rules for electric and magnetic response properties (electric dipole moment, polarizabilities, hyperpolarizabilities, and magnetizabilities) among charge-neutral and iso-electronic boron nitride-doped polycyclic aromatic hydrocarbon derivatives of naphthalene, anthracene, and pyrene. Our analysis indicates that, despite their simplicity, antisymmetry rule-based predictions are remarkably accurate, enabling dimensionality reduction of CCS. The rules predict the electric response properties more accurately than the magnetizabilities. The electric response properties in alchemical perturbation density functional theory were investigated to clarify the origin of this predictive power.

Oscar Villamil, H. Váquiro, José Fernando Solanilla Duque

Dhanush Kenchanna, Tina Marie Waliczek, Merritt L. Drewery

Black Soldier Fly (<i>Hermetia illucens</i>) is well-known for having a high protein and lipid content during its larval stage and is cultivated for animal feed. Rearing Black Soldier Fly larvae (BSFL) produces byproducts known as frass and larval sheddings in large volumes with limited applications. Therefore, there is a need to identify viable sustainable management strategies to prevent potential environmental issues associated with their accumulation. Accordingly, the purpose of this study was to evaluate BSFL frass and larval sheddings as viable ingredients in composts that utilize additional nitrogen feedstocks. Four experimental compost piles (22.7 m³) with different ratios of BSFL frass and sheddings were developed based on previous research; two piles included 25% frass, whereas the other two included 30% frass. Across these piles, the inclusion of wood chips, food waste, and livestock manure varied to determine the best proportions for compost. The compost piles were maintained for five months, including a curing phase. After curing, samples from each pile were collected to analyze their pH, macro- and micro-nutrients, particle size, stability, and maturity. The findings indicated that the pH levels (7.1–8.1) and carbon-to-nitrogen ratios (10.40–13.20) were within the optimal ranges for all piles. The phosphorus levels (0.75–1.30%) of each pile exceeded typical ranges, likely due to the high phosphorus content of the frass itself. The moisture content varied widely (24.5–51.7%), with some piles falling below optimal levels. Stability and maturity tests yielded mixed results, with some piles demonstrating continued decomposition activity. Overall, the findings indicated that inclusion rates of 25–30% of BSFL frass and sheddings produced compost with generally favorable characteristics when high nitrogen feedstocks were also incorporated into the compost piles. These findings align with those from previous research and highlight both the potential and challenges of incorporating BSFL frass into compost production.