water molecule research paper

The Role of Water Network Chemistry in Proteins: A Structural Bioinformatics Perspective in Drug Discovery and Development

Affiliation.

• 1 Department of Pharmacoinformatics, National Institute of Pharmaceutical Education and Research, Niper Sas Nagar, India.
• PMID: 35894474
• DOI: 10.2174/1568026622666220726114407

Background: Although water is regarded as a simple molecule, its ability to create hydrogen bonds makes it a highly complex molecule that is crucial to molecular biology. Water molecules are extremely small and are made up of two different types of atoms, each of which plays a particular role in biological processes. Despite substantial research, understanding the hydration chemistry of protein-ligand complexes remains difficult. Researchers are working on harnessing water molecules to solve unsolved challenges due to the development of computer technologies.

Objectives: The goal of this review is to highlight the relevance of water molecules in protein environments, as well as to demonstrate how the lack of well-resolved crystal structures of proteins functions as a bottleneck in developing molecules that target critical therapeutic targets. In addition, the purpose of this article is to provide a common platform for researchers to consider numerous aspects connected to water molecules.

Conclusion: Considering structure-based drug design, this review will make readers aware of the different aspects related to water molecules. It will provide an amalgamation of information related to the protein environment, linking the thermodynamic fingerprints of water with key therapeutic targets. It also demonstrates that a large number of computational tools are available to study the water network chemistry with the surrounding protein environment. It also emphasizes the need for computational methods in addressing gaps left by a poorly resolved crystallized protein structure.

Keywords: Bioinformatics; Directionality; Drug discovery; Molecular Dynamics; Thermodynamics; Water network; water map.

Copyright© Bentham Science Publishers; For any queries, please email at [email protected].

Publication types

• Computational Biology*
• Drug Discovery
• Proteins / chemistry
• Water* / chemistry

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13.5: The Structure and Properties of Water

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With 70% of our earth being ocean water and 65% of our bodies being water, it is hard to not be aware of how important it is in our lives. There are 3 different forms of water, or H 2 O: solid (ice), liquid (water), and gas (steam). Because water seems so ubiquitous, many people are unaware of the unusual and unique properties of water, including:

Boiling Point and Freezing Point

Surface tension, heat of vaporization, and vapor pressure.

• Viscosity and Cohesion
• Solid State
• Liquid State

If you look at the periodic table and locate tellurium (atomic number: 52), you find that the boiling points of hydrides decrease as molecule size decreases. So the hydride for tellurium: H 2 Te (hydrogen telluride) has a boiling point of -4°C . Moving up, the next hydride would be H 2 Se (hydrogen selenide) with a boiling point of -42°C . One more up and you find that H 2 S (hydrogen sulfide) has a boiling point at -62°C . The next hydride would be H 2 O (WATER!) . And we all know that the boiling point of water is 100°C . So despite its small molecular weight, water has an incredibly big boiling point. This is because water requires more energy to break its hydrogen bonds before it can then begin to boil. The same concept is applied to freezing point as well, as seen in the table below. The boiling and freezing points of water enable the molecules to be very slow to boil or freeze, this is important to the ecosystems living in water. If water was very easy to freeze or boil, drastic changes in the environment and so in oceans or lakes would cause all the organisms living in water to die. This is also why sweat is able to cool our bodies.

Besides mercury, water has the highest surface tension for all liquids. Water's high surface tension is due to the hydrogen bonding in water molecules. Water also has an exceptionally high heat of vaporization . Vaporization occurs when a liquid changes to a gas, which makes it an endothermic reaction. Water's heat of vaporization is 41 kJ/mol. Vapor pressure is inversely related to intermolecular forces, so those with stronger intermolecular forces have a lower vapor pressure. Water has very strong intermolecular forces, hence the low vapor pressure, but it's even lower compared to larger molecules with low vapor pressures.

• Viscosity is the property of fluid having high resistance to flow. We normally think of liquids like honey or motor oil being viscous, but when compared to other substances with like structures, water is viscous. Liquids with stronger intermolecular interactions are usually more viscous than liquids with weak intermolecular interactions.
• Cohesion is intermolecular forces between like molecules; this is why water molecules are able to hold themselves together in a drop. Water molecules are very cohesive because of the molecule's polarity. This is why you can fill a glass of water just barely above the rim without it spilling.

Solid State (Ice)

All substances, including water, become less dense when they are heated and more dense when they are cooled. So if water is cooled, it becomes more dense and forms ice. Water is one of the few substances whose solid state can float on its liquid state! Why? Water continues to become more dense until it reaches 4°C. After it reaches 4°C, it becomes LESS dense. When freezing, molecules within water begin to move around more slowly, making it easier for them to form hydrogen bonds and eventually arrange themselves into an open crystalline, hexagonal structure. Because of this open structure as the water molecules are being held further apart, the volume of water increases about 9%. So molecules are more tightly packed in water's liquid state than its solid state. This is why a can of soda can explode in the freezer.

Liquid State (Liquid Water)

It is very rare to find a compound that lacks carbon to be a liquid at standard temperatures and pressures. So it is unusual for water to be a liquid at room temperature! Water is liquid at room temperature so it's able to move around quicker than it is as solid, enabling the molecules to form fewer hydrogen bonds resulting in the molecules being packed more closely together. Each water molecule links to four others creating a tetrahedral arrangement, however they are able to move freely and slide past each other, while ice forms a solid, larger hexagonal structure.

Gas State (Steam)

As water boils, its hydrogen bonds are broken. Steam particles move very far apart and fast, so barely any hydrogen bonds have the time to form. So, less and less hydrogen bonds are present as the particles reach the critical point above steam. The lack of hydrogen bonds explains why steam causes much worse burns that water. Steam contains all the energy used to break the hydrogen bonds in water, so when steam hits your face you first absorb the energy the steam has taken up from breaking the hydrogen bonds it its liquid state. Then, in an exothermic reaction, steam is converted into liquid water and heat is released. This heat adds to the heat of boiling water as the steam condenses on your skin.

Water as the "Universal Solvent"

Because of water's polarity, it is able to dissolve or dissociate many particles. Oxygen has a slightly negative charge, while the two hydrogens have a slightly positive charge. The slightly negative particles of a compound will be attracted to water's hydrogen atoms, while the slightly positive particles will be attracted to water's oxygen molecule; this causes the compound to dissociate. Besides the explanations above, we can look to some attributes of a water molecule to provide some more reasons of water's uniqueness:

• Forgetting fluorine, oxygen is the most electronegative non-noble gas element, so while forming a bond, the electrons are pulled towards the oxygen atom rather than the hydrogen. This creates 2 polar bonds, which make the water molecule more polar than the bonds in the other hydrides in the group.
• A 104.5° bond angle creates a very strong dipole.
• Water has hydrogen bonding which probably is a vital aspect in waters strong intermolecular interaction

Why is this important for the real world?

The properties of water make it suitable for organisms to survive in during differing weather conditions. Ice freezes as it expands, which explains why ice is able to float on liquid water. During the winter when lakes begin to freeze, the surface of the water freezes and then moves down toward deeper water; this explains why people can ice skate on or fall through a frozen lake. If ice was not able to float, the lake would freeze from the bottom up killing all ecosystems living in the lake. However ice floats, so the fish are able to survive under the surface of the ice during the winter. The surface of ice above a lake also shields lakes from the cold temperature outside and insulates the water beneath it, allowing the lake under the frozen ice to stay liquid and maintain a temperature adequate for the ecosystems living in the lake to survive.

• Cracolice, Mark S. and Edward Peters I. Basics of Introductory Chemistry . Thompson, Brooks/Cole Publishing Company. 2006
• Petrucci, et al. General Chemistry: Principles & Modern Applications: AIE (Hardcover). Upper Saddle River: Pearson/Prentice Hall, 2007.

Contributors and Attributions

• Corinne Yee (UCD), Desiree Rozzi (UCD)

The Interaction of Electromagnetic Waves with Water

• First Online: 21 April 2021

Cite this chapter

• Vasily Artemov 5  

Part of the book series: Springer Series in Chemical Physics ((CHEMICAL,volume 124))

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Water is the most important substance in our everyday life, and has been studied as no other medium. While it has a relatively simple atomic composition, water nevertheless presents an astonishing variety of manifestations of its interaction with electromagnetic waves of the different wavelengths from radio frequencies to X-rays, representing its uniqueness compared to other dielectrics. In this chapter, the response of water to external electromagnetic radiation is considered in an extended frequency range from 0 to 10 \(^{15}\) Hz. The independent view on the separate parts of the spectrum, such as the dielectric constant, DC conductivity, radio wave, microwave, terahertz, and IR absorption, is provided along with a comprehensive view on the entire spectrum as a whole by means of sum rules, Kramers–Kronig analysis and the isotope effect. A curious reader will find a complete description of water’s electrodynamic parameters, as well as specific questions regarding the dynamic structure of water.

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Note that in classical electrodynamics it is customary to divide currents into the conduction and displacement components, writing the dielectric function as follows:

where \(\sigma _{dc}\) is the direct current conductivity and F ( \(\omega \) ) is a frequency-dependent dielectric function. However, () is incorrect and contains a wrong physical meaning. Since both the conduction current and the displacement currents are indistinguishable for the infinite sample and obviously have the same nature, hereinafter, by \(\sigma \) = \(\epsilon \) " \(\epsilon _0\omega \) , where \(\epsilon _0\) being the vacuum permittivity, we mean the frequency-dependent dynamic conductivity, which includes both DC and AC conductivity parts, and assume that formula ( 2.5 ) is a definition of the electrical conductivity function, which is valid at any frequency (including \(\omega =0\) ).

Note that the sample is not a material, because it always has finite size and boundaries, which can affect the dielectric measurement at low frequencies (see [ 2 ]). Thus, one should be careful with the transfer of the sample parameters to the material properties, and use the corresponding equivalent schemes.

The loss tangent is defined as the ratio (or angle in a complex plane) of the lossy reaction to the electric field E in the curl equation to the lossless reaction: tg \(\delta \) = \(\epsilon ''\) / \(\epsilon '\) .

Equation ( 2.22 ) has an important consequence. It connects the dielectric relaxation band with the static dielectric constant, which means that they both have the same microscopic nature discussed in Sect.  4.5 .

In a linear response, a weak perturbation generates a small out-of-equilibrium response that is proportional to this perturbation. The response is expected to be proportional to this perturbation, where the response coefficient is independent of the strength of the external electric field [ 15 ].

The difference between experimental viscosity and that calculated by Stokes–Einstein formula is observed for all polar liquids and, depending on the conditions, ranges from ten to several thousand times.

1 D (Debye) = 3.33 \(\cdot \) 10 \(^{-30}\) C \(\cdot \) m.

The same is true for alcohols (see, for instance, [ 21 ]).

This is despite the fact that the relaxation time changes by seven orders of magnitude (see Chap.  4 for details).

The absorption of the electromagnetic waves by water vapor is used in IR astronomy and radio astronomy in the IR, and microwave or millimeter wave bands. For earth-based astrophysical observations, atmospheric water vapor creates distortions. The South Pole Telescope was constructed because there is very little water vapor in the atmosphere above the poles, caused by the low temperatures.

https://hitran.org/ .

The maximum of the IR absorption of water and ice is only an order of magnitude lower than that for the ionic crystal of NaCl, but three orders of magnitude lower than the absorption of covalently bounded crystalline silicon.

LO–TO splitting manifests itself in a frequency difference between the longitudinal optical (LO) and transverse optical (TO) phonon modes.

For ice, the \(\nu _s\) mode splits and has a structure of at minimum two components, which is presumably caused by the longitudinal- and transverse-phonon modes splitting.

Note that the acoustic waves involve the motions of entire H \(_2\) O molecule and describe the irregular molecular arrangement, whereas the X-ray RDF analysis (see Sect.  1.2.3 ) gives diffusion-averaged O–O distances. That is why an additional small maximum of the radial distribution function near 3.5 Å can be caused by the molecules in the state of diffusion between two quasi-equilibrium positions.

Note that the Debye model of relaxation is based on the diffusion limit, where extremely complex dipolar relaxations at long timescales can be treated statistically, neglecting the moment of inertia of the dipoles and intermolecular interactions. However, for highly anisotropic and strongly dipolar molecules such as water, their effects should be rigorously taken into account at such short time frames as an equilibrium statistical description is inapplicable [ 102 ].

They also found that the product \(\tau _{D1}\cdot D\) , where D is the self-diffusion coefficient of water, is nearly independent of both light and heavy water

The spectral transparency window allows animals to see under and through the water, and makes water transparent for light of optical frequencies. If our eyes were sensitive to IR frequencies instead of optical, water would be completely opaque. Obviously, evolution chooses the optical region for vision due to the special electrodynamic properties of water.

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Artemov, V. (2021). The Interaction of Electromagnetic Waves with Water. In: The Electrodynamics of Water and Ice. Springer Series in Chemical Physics, vol 124. Springer, Cham. https://doi.org/10.1007/978-3-030-72424-5_2

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Rethinking H2O: Water Molecule Discovery Contradicts Textbook Models

By University of Cambridge January 15, 2024

Researchers have overturned traditional models of how water molecules behave at the surface of saltwater, revealing new insights into ion distribution and orientation. This breakthrough, achieved through advanced techniques, has significant implications for climate science and technology. Credit: SciTechDaily.com

Groundbreaking research shows that water molecules at the saltwater surface behave differently than previously thought, offering new perspectives for environmental science and technology.

Textbook models will need to be re-drawn after a team of researchers found that water molecules at the surface of salt water are organized differently than previously thought.

Many important reactions related to climate and environmental processes take place where water molecules interface with air. For example, the evaporation of ocean water plays an important role in atmospheric chemistry and climate science. Understanding these reactions is crucial to efforts to mitigate the human effect on our planet.

The distribution of ions at the interface of air and water can affect atmospheric processes. However, a precise understanding of the microscopic reactions at these important interfaces has so far been intensely debated.

Graphic representation of the liquid/air interface in a sodium chloride solution. Credit: Yair Litman

Innovative Research Techniques

In a paper published today (January 15) in the journal Nature Chemistry , researchers from the University of Cambridge and the Max Planck Institute for Polymer Research in Germany show that ions and water molecules at the surface of most salt-water solutions, known as electrolyte solutions, are organized in a completely different way than traditionally understood. This could lead to better atmospheric chemistry models and other applications.

The researchers set out to study how water molecules are affected by the distribution of ions at the exact point where air and water meet. Traditionally, this has been done with a technique called vibrational sum-frequency generation (VSFG). With this laser radiation technique, it is possible to measure molecular vibrations directly at these key interfaces. However, although the strength of the signals can be measured, the technique does not measure whether the signals are positive or negative, which has made it difficult to interpret findings in the past. Additionally, using experimental data alone can give ambiguous results.

The team overcame these challenges by utilizing a more sophisticated form of VSFG, called heterodyne-detected (HD)-VSFG, to study different electrolyte solutions. They then developed advanced computer models to simulate the interfaces in different scenarios.

Revolutionizing Traditional Models

The combined results showed that both positively charged ions, called cations, and negatively charged ions, called anions, are depleted from the water/air interface. The cations and anions of simple electrolytes orient water molecules in both up- and down-orientation. This is a reversal of textbook models, which teach that ions form an electrical double layer and orient water molecules in only one direction.

Co-first author Dr Yair Litman, from the Yusuf Hamied Department of Chemistry, said: “Our work demonstrates that the surface of simple electrolyte solutions has a different ion distribution than previously thought and that the ion-enriched subsurface determines how the interface is organized: at the very top there are a few layers of pure water, then an ion-rich layer, then finally the bulk salt solution.”

Co-first author Dr Kuo-Yang Chiang of the Max Planck Institute said: “This paper shows that combining high-level HD-VSFG with simulations is an invaluable tool that will contribute to the molecular-level understanding of liquid interfaces.”

Professor Mischa Bonn, who heads the Molecular Spectroscopy department of the Max Planck Institute, added: “These types of interfaces occur everywhere on the planet, so studying them not only helps our fundamental understanding but can also lead to better devices and technologies. We are applying these same methods to study solid/liquid interfaces, which could have potential applications in batteries and energy storage.”

Reference: “Surface stratification determines the interfacial water structure of simple electrolyte solutions” by Yair Litman, Kuo-Yang Chiang, Takakazu Seki, Yuki Nagata and Mischa Bonn, 15 January 2024, Nature Chemistry . DOI: 10.1038/s41557-023-01416-6

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Hello, dears .Rethinking from the original, Rethinking then discussed shortly than Rethinking and decided that with the best possible solution afterwards open the lighting if people were interested to this there eyes will be lighting up and all of our will be not needs at this point

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Detecting trace quantities of substances in complex aqueous media, such as river water, sewage and treated drinking water, can be like looking for the proverbial needle in a haystack. Numerous sensitive methods have been developed 1 , but they often rely on complicated sample-processing and signal-acquisition steps, and are typically time consuming and costly. An approach known as surface-enhanced Raman spectroscopy (SERS) can detect single molecules 2 , 3 and has long been promoted as a promising alternative to such methods. But SERS is a notoriously finicky technique, with intrinsic variabilities, which makes it hard to use to quantify low concentrations of dissolved compounds. Writing in Nature , Bi et al. 4 report a digitized SERS method for detecting waterborne substances that addresses this fundamental issue.

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• "Properties of water." Wikipedia. May 27, 2016. Accessed May 28, 2016. https://en.wikipedia.org/wiki/Properties_of_water .
• Reece, J. B., L. A. Urry, M. L. Cain, S. A. Wasserman, P. V. Minorsky, and R. B. Jackson. "Polar covalent bonds in water molecules result in hydrogen bonding." In Campbell Biology , 45. 10th ed. San Francisco, CA: Pearson, 2011.

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What Makes Tiny Tardigrades Nearly Radiation Proof

New research finds that the microscopic “water bears" are remarkably good at repairing their DNA after a huge blast of radiation.

By Carl Zimmer

To introduce her children to the hidden marvels of the animal kingdom a few years ago, Anne De Cian stepped into her garden in Paris. Dr. De Cian, a molecular biologist, gathered bits of moss, then came back inside to soak them in water and place them under a microscope. Her children gazed into the eyepiece at strange, eight-legged creatures clambering over the moss.

“They were impressed,” Dr. De Cian said.

But she was not finished with the tiny beasts, known as tardigrades. She brought them to her laboratory at the French National Museum of Natural History, where she and her colleagues hit them with gamma rays. The blasts were hundreds of times greater than the radiation required to kill a human being. Yet the tardigrades survived, going on with their lives as if nothing had happened.

Scientists have long known that tardigrades are freakishly resistant to radiation, but only now are Dr. De Cian and other researchers uncovering the secrets of their survival. Tardigrades turn out to be masters of molecular repair, able to quickly reassemble piles of shattered DNA, according to a study published on Friday and another from earlier this year.

Scientists have been trying to breach the defenses of tardigrades for centuries. In 1776, Lazzaro Spallanzani, an Italian naturalist, described how the animals could dry out completely and then be resurrected with a splash of water. In the subsequent decades, scientists found that tardigrades could withstand crushing pressure, deep freezes and even a trip to outer space.

In 1963, a team of French researchers found that tardigrades could withstand massive blasts of X-rays. In more recent studies, researchers have found that some species of tardigrades can withstand a dose of radiation 1,400 times higher than what’s required to kill a person.

Radiation is deadly because it breaks apart DNA strands. A high-energy ray that hits a DNA molecule can cause direct damage; it can also wreak havoc by colliding with another molecule inside a cell. That altered molecule may then attack the DNA.

Scientists suspected that tardigrades could prevent or undo this damage. In 2016, researchers at the University of Tokyo discovered a protein called Dsup , which appeared to shield tardigrade genes from energy rays and errant molecules. The researchers tested their hypothesis by putting Dsup into human cells and pelting them with X-rays. The Dsup cells were less damaged than cells without the tardigrade protein.

That research prompted Dr. De Cian’s interest in tardigrades. She and her colleagues studied the animals she had gathered in her Paris garden, along with a species found in England and a third from Antarctica. As they reported in January, gamma rays shattered the DNA of the tardigrades, yet failed to kill them.

Courtney Clark-Hachtel, a biologist at the University of North Carolina Asheville, and her colleagues independently found that the tardigrades ended up with broken genes . Their study was published on Friday in the journal Current Biology.

These findings suggest that Dsup on its own does not prevent DNA damage, though it’s possible the proteins provide partial protection. It’s hard to know for sure because scientists are still figuring out how to run experiments with tardigrades. They cannot engineer the animals without the Dsup gene, for example, to see how they would handle radiation.

“We’d love to do this experiment,” Jean-Paul Concordet, Dr. De Cian’s collaborator at the museum, said. “But what we can do with tardigrades is still quite rudimentary.”

Both new studies revealed another trick of the tardigrades: They quickly fix their broken DNA.

After tardigrades are exposed to radiation, their cells use hundreds of genes to make a new batch of proteins. Many of these genes are familiar to biologists, because other species — ourselves included — use them to repair damaged DNA.

Our own cells are continually repairing genes . The strands of DNA in a typical human cell break about 40 times a day — and each time, our cells have to fix them.

The tardigrades make these standard repair proteins in astonishing large amounts. “I thought, ‘This is ridiculous’,” Dr. Clark-Hachtel recalled when she first measured their levels.

Dr. De Cian and her colleagues also discovered that radiation causes tardigrades to make a number of proteins not seen in other animals. For now, their functions remain mostly a mystery.

The scientists picked out a particularly abundant protein to study, called TRD1. When inserted in human cells, it seemed to help the cells withstand damage to their DNA. Dr. Concordet speculated that TRD1 may grab onto chromosomes and hold them in their correct shape, even as their strands start to fray.

Studying proteins like TRD1 won’t just reveal the powers of tardigrades, Dr. Concordet said, but could also lead to new ideas about how to treat medical disorders. DNA damage plays a part in many kinds of cancer, for example. “Any tricks they use we might benefit from,” Dr. Concordet said.

Dr. Concordet still finds it bizarre that tardigrades are so good at surviving radiation. After all, they don’t have to survive in nuclear power plants or uranium-lined caves.

“This is one of the big enigmas: Why are these organisms resistant to radiation in the first place?” he said.

Dr. Concordet said that this tardigrade superpower could just be an extraordinary coincidence. Dehydration can also break DNA, so tardigrades may use their shields and repair proteins to withstand drying out.

While a Paris garden may look to us like an easy place to live, Dr. Concordet said that it might pose a lot of challenges to a tardigrade. Even the disappearance of the dew each morning might be a catastrophe.

“We don’t know what life is like down there in the moss,” he said.

Carl Zimmer covers news about science for The Times and writes the Origins column . More about Carl Zimmer

The Mysteries and Wonders of Our DNA

Women are much more likely than men to have an array of so-called autoimmune diseases, like lupus and multiple sclerosis. A new study offers an explanation rooted in the X chromosome .

DNA fragments from thousands of years ago are providing insights  into multiple sclerosis, diabetes, schizophrenia and other illnesses. Is this the future of medicine ?

A study of DNA from half a million volunteers found hundreds of mutations that could boost a young person’s fertility  and that were linked to bodily damage later in life.

In the first effort of its kind, researchers now have linked DNA from 27 African Americans buried in the cemetery to nearly 42,000 living relatives .

Environmental DNA research has aided conservation, but scientists say its ability to glean information about humans poses dangers .

That person who looks just like you is not your twin. But if scientists compared your genomes, they might find a lot in common .

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Sartorius: First quarter results in line with expectations; recurring business with significant order growth; demand from China remains weak; outlook for full year confirmed

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Göttingen, Germany | April 18, 2024

• Inventory reduction at customers further advanced; order intake increases by almost 10 percent in constant currencies
• Sales revenue down by 7.6 percent in constant currencies; underlying EBITDA margin at a robust 28.6 percent

In a continuously challenging market environment, the life science group Sartorius closed its first quarter within the bandwidth of expectations recording an increase in order intake and a decline in sales revenue compared with a strong prior-year quarter. For the full year, the company continues to anticipate business momentum to gradually pick up from quarter to quarter and forecasts sales revenue growth in the mid to high single-digit percentage range.

"In the first quarter we largely saw the projected muted start to the fiscal year and a mixed picture overall: Orders in our core business with consumables are picking up noticeably, signaling an advanced stage of inventory reduction on the customer side. Business with customers working on cell and gene therapies, which is a major strategic focus for us, is also developing well, although this still very young field generally shows somewhat higher volatility. In contrast, customers, particularly in China and to some extent also in Europe, showed a pronounced reluctance to invest, which had a significant dampening effect on the order intake of our equipment business," said Sartorius CEO Joachim Kreuzburg. "We are content with the development of profitability. The EBITDA margin continues to be at a robust level, and we anticipate further effects from our efficiency programs in the coming months."

Business development of the Group 1

In the first three months of 2024, the Sartorius Group recorded an increase in order intake of 9.8 percent in constant currencies (reported: 8.0 percent) to 826 million euros compared with the prior-year quarter, continuing the positive trend that already began at the end of the third quarter of 2023.

Sales revenue amounted to 820 million euros in the first quarter, which corresponds to a decline of 7.6 percent in constant currencies (reported: - 9.3 percent) compared with the prior-year period. This includes a growth contribution from acquisitions 2 of around 2 percentage points.

From a regional perspective, the demand recovery was visible in all business regions except for Asia/Pacific, which is significantly influenced by China: The EMEA region 3 recorded an increase in order intake of 6.5 percent with sales revenue down by 4.4 percent. In the Americas region, order intake grew at a double-digit rate of 26.1 percent, while sales revenue declined by 9.3 percent. In Asia/Pacific, the continued market weakness in China led to a decline in both order intake (- 4.8 percent) and sales revenue (- 10.4 percent).

Underlying EBITDA decreased by 13.8 percent to 234 million euros in the first three months due to lower sales revenue. The resulting margin was 28.6 percent after 30.1 percent in the prior-year period.

The relevant net profit reached 70 million euros after 116 million euros in the first three months of 2023. Underlying earnings per ordinary share stood at 1.01 euros (prior-year period: 1.69 euros) and 1.02 euros (prior-year period: 1.70 euros) per preference share. The number of employees worldwide was 14,338 as of March 31, 2024, compared with 15,547 the year before (December 31, 2023: 14,614 people).

Key financial indicators

The Group's key financial indicators remain at a sound level. The equity ratio as of March 31, 2024, increased to 35.4 percent (December 31, 2023: 28.3 percent), mainly as a result of the equity measures successfully completed at the beginning of February 2024. The ratio of net debt to underlying EBITDA decreased significantly to 4.4 after 5.0 as of December 31, 2023.

Mainly due to lower earnings, net operating cash flow totaled 45 million euros compared with 202 million euros in the prior-year period. Cash flow from investing activities amounted to - 135 million euros after - 137 million euros in the first quarter of 2023. The ratio of capital expenditures (capex) to sales revenue stood at 15.7 percent compared with 15.0 percent in the prior-year period.

Business development of the Bioprocess Solutions division

In the Bioprocess Solutions division, which offers a wide array of innovative technologies for the manufacture of biopharmaceuticals, vaccines, and cell and gene therapeutics, demand in the recurring core business with consumables continued to normalize as expected. Sales revenue and order intake further recovered in this key product category, while the equipment and systems business remained soft due to customers’ muted investment activity.

The division's order intake increased by 15.0 percent in constant currencies (reported: 13.4 percent) to 653 million euros in the first quarter, with growth recorded in all regions except China. In view of advanced inventory reductions on the part of customers, business has been recovering since the end of the third quarter of 2023. Order volume was slightly above sales revenue in the first three months of 2024, which stood at 647 million euros, down 5.3 percent in constant currencies (reported: - 6.9 percent) on the strong prior-year figure. This includes a growth contribution from acquisitions 2 of 2.8 percentage points.

The division's underlying EBITDA decreased to 193 million euros, with positive product mix effects and cost base adjustments partially compensating the negative volume development. The margin reached 29.8 percent (prior-year period: 31.2 percent).

Business development of the Lab Products & Services division

In the Lab Products & Services division, which specializes in life science research and pharmaceutical laboratories, the upturn in business momentum recorded since the end of 2023 continued in the first quarter. However, in particular due to the very weak Chinese market and the still subdued investment activity on the part of customers, order intake and sales revenue were down on the strong prior-year quarter.

Order intake was on a par with the sales revenue level in the first three months of the financial year at 173 million euros; the decline compared with the prior-year quarter was 6.2 percent in constant currencies (reported: - 8.2 percent).

The division's sales revenue reached 173 million euros, which corresponds to a decline of 15.3 percent in constant currencies compared with the prior-year quarter (reported: - 17.1 percent), while the trend was positive compared with the end of 2023.

Due to volume and product mix effects, the division's underlying EBITDA stood at 41 million euros after 55 million Euros in the first quarter of 2023 and the corresponding margin was 24.0 percent (prior-year period: 26.3 percent).

Outlook for 2024

Management confirms its expectations for the current fiscal year and continues to anticipate a moderate first half of 2024 and increasing business momentum in the course of the year. In addition, business performance could also be affected by increasing geopolitical tensions and economic slowdowns.

The company forecasts an increase in Group sales revenue in the mid to high single-digit percentage range with a contribution of around 1.5 percentage points from acquisitions. The underlying EBITDA margin is projected to rise to slightly more than 30 percent (prior year: 28.3 percent). The ratio of capital expenditure to sales revenue is expected to be around 13 percent and the ratio of net debt to underlying EBITDA, excluding potential acquisitions, slightly above 3.

For the Bioprocess Solutions division, management anticipates an increase in sales revenue in the mid to high single-digit percentage range, including a contribution of around 2 percentage points from acquired businesses. The division's underlying EBITDA margin is projected to be over 31 percent (prior year: 29.2 percent), positively impacted by the above-average profitability of the Polyplus business. The Lab Products & Services division is expected to continue its recovery in the current year, with a subdued sales revenue increase in the low single-digit percentage range and an underlying EBITDA margin at around the prior-year level (prior year: 25.1 percent).

Forecasts have been prepared based on historical information and are consistent with accounting policies. All forecast figures are based on constant currencies, as in the past years. Management points out that the dynamics and volatilities in the industry have increased significantly in recent years. In addition, uncertainties due to the changed geopolitical situation, such as the emerging decoupling tendencies of various countries, are playing a greater role. This results in higher uncertainty when forecasting business figures.

1 Sartorius publishes alternative performance measures that are not defined by international accounting standards. These are determined with the aim of improving the comparability of business performance over time and within the industry.

• Order intake: all customer orders contractually concluded and booked during the respective reporting period
• Underlying EBITDA: earnings before interest, taxes, depreciation and amortization and adjusted for extraordinary items
• Relevant net profit: profit for the period after non-controlling interest, adjusted for extraordinary items and amortization, as well as based on the normalized financial result and the normalized tax rate
• Ratio of net debt to underlying EBITDA: quotient of net debt and underlying EBITDA over the past 12 months, including the pro forma amount contributed by acquisitions for this period

2 Acquisition of Polyplus

3 EMEA = Europe, Middle East, Africa

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Water Intake, Body Water Regulation and Health

Evan c. johnson.

1 Human Integrated Physiology Laboratory, Division of Kinesiology and Health, University of Wyoming, Laramie, WY 82071, USA

William M. Adams

2 Hydration, Environment and Thermal Stress Lab, Department of Kinesiology, University of North Carolina at Greensboro, Greensboro, NC 27412, USA; ude.gcnu@smadamw

The biological feedback provided by human water intake upon our physiology is grossly under-investigated. The delicate regulation of intake and imperceptible changes to physiological processes makes it easy for the casual observer to overlook the acute and chronic impacts of water consumption on human health and performance. Given this gap, we aim to bring a special edition of Nutrients to highlight some of the growing areas of interest that fall under the broad umbrella of “water intake, body water regulation and health”.

As with any research topic, investigators must begin with, and be able to constantly update, their understanding of the appropriate measurement of their target phenomenon. Three of the manuscripts within this Special Issue will help the researchers of tomorrow to do just that. Drs. Muñoz and Wininger provide us with “food for thought” when considering the utilization of the National Health and Nutrition Examination Survey (NHANES) for hydration-related investigations [ 1 ]. Additionally, Dr. Basov and colleagues review the influence of deuterium-depleted water on isotope regulation, an important topic for those looking to apply D 2 O application for the measurement of water intake and/or turnover [ 2 ]. Relatedly, Dr. González-Arellanes and co-authors present evidence of how chronic high-volume water consumption can affect body composition measurement via D 2 O dilution while also introducing the influence that age, sex, and ethnicity may play in being able to accurately assess total body water [ 3 ].

Although still under-investigated, the influence of water intake on dimensions of health has been increasing within recent literature. Rightly so, a further understanding of health behaviors related to something as fundamental as water intake can have a substantial impact on public health. First, Drs. Watso and Farquhar provide a comprehensive review discussing current evidence and physiological mechanisms that tie water intake to cardiovascular function [ 4 ]. A separate study presented by Drs. Sollanek, Kenefick, and Cheuvront reviews the osmolality standards of several commercially available rehydration solutions [ 5 ], which has relevance to treatment standards within countries in need of rehydration plans for combatting diseases such as malaria. Tangential to water intake, is the influence that body water has upon the human body’s ability to thermoregulate. Papers by Dr. Schlader and colleagues [ 6 ] and Dr. Smith [ 7 ] address this aspect of water homeostasis through a mechanistic review of how physical labor in the heat presents risk for renal injury, and a novel focus regarding pediatric thermoregulation in the face of increasing ambient temperature due to climate change, respectively. Lastly, among our health focused papers, is a wonderful review by Dr. Hew-Butler which examines the other side of the water intake coin; what happens to the body when too much water is consumed [ 8 ]? The career achievements of all of the above authors make these manuscripts not to be missed for those interested in the influence of water intake on health.

In conclusion, the co-editors of this Special Issue, together with our collaborators, introduce two papers on hydration biomarkers; a topic that is continuously evolving within scientific literature. The manuscript by Drs. Armstrong and Johnson provides background on the evidence behind the current water intake guidelines and introduces a novel biomarker, copeptin, along with providing the history of how this biomarker came to be established in the water intake literature [ 9 ]. Drs. Adams, Vandermark, Belval, and Casa present our final manuscript on how the perception of thirst can be properly used to evaluate hydration status within exercise investigations [ 10 ]. To read this paper alongside Dr. Hew-Butlers will provide fantastic context for early-career scientists to emeritus scientists.

We thank the readers for seeking out this Special Issue. We are honored to be able to collect the works from a diversified group of leaders within the field of human physiology. The data, thoughts, and ideas presented in this Special Issue are a sign of wonderful times ahead in our field!